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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (18,506)
Phenols (1,683)
Fluorenes (451)
Naphthalenes (450)
Thiophenols (419)
Tetralins (143)
Triphenyl compounds (137)
Phenol esters (130)
Anthracenes (111)
Indanes (71)
Phenanthrenes and derivatives (55)
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Unsubstituted Phenols (19)
Dibenzocycloheptenes (10)
Naphthacenes (10)
Ellagic acids and derivatives (6)
Pentacenequinones (4)
Pentacenes (4)
1-hydroxylamino 2-unsubstituted benzenoids (3)

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1 – 15 of 9,890 results
1

4'-Ethoxyacetanilide, 97%, Thermo Scientific Chemicals

CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00009094 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C

EDGE
PubChem CID 4754
CAS 62-44-2
Molecular Weight (g/mol) 179.219
ChEBI CHEBI:8050
MDL Number MFCD00009094
SMILES CCOC1=CC=C(C=C1)NC(=O)C
Synonym phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin
IUPAC Name N-(4-ethoxyphenyl)acetamide
InChI Key CPJSUEIXXCENMM-UHFFFAOYSA-N
Molecular Formula C10H13NO2
2

2-Aminoterephthalic acid, 98.5%, Thermo Scientific Chemicals

CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O

EDGE
PubChem CID 2724822
CAS 10312-55-7
Molecular Weight (g/mol) 179.13
MDL Number MFCD00134536
SMILES NC1=CC(=CC=C1C([O-])=O)C([O-])=O
Synonym aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751
IUPAC Name 2-aminoterephthalic acid
InChI Key GPNNOCMCNFXRAO-UHFFFAOYSA-L
Molecular Formula C8H5NO4
3

Methyl 4-hydroxybenzoate, sodium salt, 99%, Thermo Scientific Chemicals

CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 MDL Number: MFCD00016470 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M Synonym: methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk PubChem CID: 23663626 IUPAC Name: sodium;4-methoxycarbonylphenolate SMILES: COC(=O)C1=CC=C(C=C1)[O-].[Na+]

EDGE
PubChem CID 23663626
CAS 5026-62-0
Molecular Weight (g/mol) 174.13
MDL Number MFCD00016470
SMILES COC(=O)C1=CC=C(C=C1)[O-].[Na+]
Synonym methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk
IUPAC Name sodium;4-methoxycarbonylphenolate
InChI Key PESXGULMKCKJCC-UHFFFAOYSA-M
Molecular Formula C8H7NaO3
4

Acetylsalicylic acid, 99%, Thermo Scientific Chemicals

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

PubChem CID 2244
CAS 50-78-2
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:15365
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
Synonym aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin
IUPAC Name 2-acetyloxybenzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
5

Thiamphenicol, 98%, Thermo Scientific Chemicals

CAS: 15318-45-3 Molecular Formula: C12H15ClNO5S Molecular Weight (g/mol): 356.22 InChI Key: OTVAEFIXJLOWRX-NXEZZACHSA-N Synonym: thiamphenicol,thiophenicol,thiamcol,+-thiamphenicol,raceophenidol,thiocymetin,dextrosulphenidol,thiamphenicolum,d-thiocymetin,d-thiophenicol PubChem CID: 27200 ChEBI: CHEBI:32215 IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O

PubChem CID 27200
CAS 15318-45-3
Molecular Weight (g/mol) 356.22
ChEBI CHEBI:32215
SMILES CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O
Synonym thiamphenicol,thiophenicol,thiamcol,+-thiamphenicol,raceophenidol,thiocymetin,dextrosulphenidol,thiamphenicolum,d-thiocymetin,d-thiophenicol
IUPAC Name 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
InChI Key OTVAEFIXJLOWRX-NXEZZACHSA-N
Molecular Formula C12H15ClNO5S
6

isopropyl 2-bromobenzoate, Thermo Scientific™

CAS: 59247-52-8 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 InChI Key: QTCRCHHNKWSPHB-UHFFFAOYSA-N PubChem CID: 603261 IUPAC Name: propan-2-yl 2-bromobenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1Br

PubChem CID 603261
CAS 59247-52-8
Molecular Weight (g/mol) 243.1
SMILES CC(C)OC(=O)C1=CC=CC=C1Br
IUPAC Name propan-2-yl 2-bromobenzoate
InChI Key QTCRCHHNKWSPHB-UHFFFAOYSA-N
Molecular Formula C10H11BrO2
7

3,5-dibromobenzamide, Thermo Scientific™

CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzoic acid amide,acmc-20andi,3,5-dibromo-benzamide,maybridge1_007750,3,5-bis bromanyl benzamide,3,5-dibromobenzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N

PubChem CID 2735937
CAS 175205-85-3
Molecular Weight (g/mol) 278.931
SMILES C1=C(C=C(C=C1Br)Br)C(=O)N
Synonym 3,5-dibromo-benzoic acid amide,acmc-20andi,3,5-dibromo-benzamide,maybridge1_007750,3,5-bis bromanyl benzamide,3,5-dibromobenzamide
IUPAC Name 3,5-dibromobenzamide
InChI Key IOFGMNBDIDEBIQ-UHFFFAOYSA-N
Molecular Formula C7H5Br2NO
8

Ambrisentan, Thermo Scientific Chemicals

CAS: 177036-94-1 Molecular Formula: C22H22N2O4 Molecular Weight (g/mol): 378.43 InChI Key: OUJTZYPIHDYQMC-UHFFFAOYNA-N IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid SMILES: COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1

CAS 177036-94-1
Molecular Weight (g/mol) 378.43
SMILES COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
InChI Key OUJTZYPIHDYQMC-UHFFFAOYNA-N
Molecular Formula C22H22N2O4
9

o-Toluidine, 99%, Thermo Scientific Chemicals

CAS: 95-53-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N

PubChem CID 7242
CAS 95-53-4
Molecular Weight (g/mol) 107.156
ChEBI CHEBI:66892
MDL Number MFCD00007730
SMILES CC1=CC=CC=C1N
Synonym o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine
IUPAC Name 2-methylaniline
InChI Key RNVCVTLRINQCPJ-UHFFFAOYSA-N
Molecular Formula C7H9N
10

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
11

4-phenylbutyl isothiocyanate, Thermo Scientific™

CAS: 61499-10-3 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00052335 InChI Key: CCBQOLFAKKAMLD-UHFFFAOYSA-N Synonym: 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci PubChem CID: 124881 IUPAC Name: 4-isothiocyanatobutylbenzene SMILES: C1=CC=C(C=C1)CCCCN=C=S

PubChem CID 124881
CAS 61499-10-3
Molecular Weight (g/mol) 191.292
MDL Number MFCD00052335
SMILES C1=CC=C(C=C1)CCCCN=C=S
Synonym 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci
IUPAC Name 4-isothiocyanatobutylbenzene
InChI Key CCBQOLFAKKAMLD-UHFFFAOYSA-N
Molecular Formula C11H13NS
12

(3,5-dichlorophenyl)methanol, Thermo Scientific™

CAS: 60211-57-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 InChI Key: VSNNLLQKDRCKCB-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908 PubChem CID: 43236 IUPAC Name: (3,5-dichlorophenyl)methanol SMILES: C1=C(C=C(C=C1Cl)Cl)CO

PubChem CID 43236
CAS 60211-57-6
Molecular Weight (g/mol) 177.024
SMILES C1=C(C=C(C=C1Cl)Cl)CO
Synonym 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908
IUPAC Name (3,5-dichlorophenyl)methanol
InChI Key VSNNLLQKDRCKCB-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
13

(3-chlorophenyl)methanol, Thermo Scientific™

CAS: 873-63-2 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 InChI Key: ZSRDNPVYGSFUMD-UHFFFAOYSA-N Synonym: 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt PubChem CID: 70117 IUPAC Name: (3-chlorophenyl)methanol SMILES: C1=CC(=CC(=C1)Cl)CO

PubChem CID 70117
CAS 873-63-2
Molecular Weight (g/mol) 142.582
SMILES C1=CC(=CC(=C1)Cl)CO
Synonym 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt
IUPAC Name (3-chlorophenyl)methanol
InChI Key ZSRDNPVYGSFUMD-UHFFFAOYSA-N
Molecular Formula C7H7ClO
14

Pentafluorophenyl nicotinate, 97%, Thermo Scientific™

CAS: 848347-44-4 Molecular Formula: C12H4F5NO2 Molecular Weight (g/mol): 289.161 MDL Number: MFCD09064938 InChI Key: AXHLJDBUUFUDCF-UHFFFAOYSA-N Synonym: pentafluorophenyl nicotinate,pentafluorophenyl pyridine-3-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl pyridine-3-carboxylate,3-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 23237920 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) pyridine-3-carboxylate SMILES: C1=CC(=CN=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

PubChem CID 23237920
CAS 848347-44-4
Molecular Weight (g/mol) 289.161
MDL Number MFCD09064938
SMILES C1=CC(=CN=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
Synonym pentafluorophenyl nicotinate,pentafluorophenyl pyridine-3-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl pyridine-3-carboxylate,3-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) pyridine-3-carboxylate
InChI Key AXHLJDBUUFUDCF-UHFFFAOYSA-N
Molecular Formula C12H4F5NO2
15

Salicylic acid, sodium salt, 99+%, Thermo Scientific Chemicals

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3