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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (366)
Complex Aldehydes (87)
Alpha beta-unsaturated carbonyl compounds (13)
Dicarbonyl Compounds (10)
Acyloins (5)
Alpha-acyloxy carbonyl compounds (2)

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1 – 15 of 192 results
1

Damascenone, TRC

CAS: 23696-85-7 Molecular Formula: C13 H18 O Molecular Weight (g/mol): 190.28 Synonym: beta-Damascenone,2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-,1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one,1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one,1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene,2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene,2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadiene IUPAC Name: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one SMILES: CC=CC(=O)C1=C(C)C=CCC1(C)C

CAS 23696-85-7
Molecular Weight (g/mol) 190.28
SMILES CC=CC(=O)C1=C(C)C=CCC1(C)C
Synonym beta-Damascenone,2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-,1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one,1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one,1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene,2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene,2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadiene
IUPAC Name 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Molecular Formula C13 H18 O
2

Acetoxyacetone, TRC

CAS: 592-20-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 Synonym: Acetoxypropanone,Acetylmethyl Acetate,Acetyloxyacetone,NSC 2298,NSC 7614,O-Acetylacetol,1-(Acetyloxy)propan-2-one,1-Acetoxy-2-propanone,1-Acetoxyacetone,1-Hydroxy-2-propanone Acetate,2-Oxopropyl Acetate,Acetic Acid Acetonyl Ester,Acetol Acetate,Acetonyl Acetate; IUPAC Name: 2-oxopropyl acetate SMILES: CC(=O)COC(=O)C

CAS 592-20-1
Molecular Weight (g/mol) 116.12
SMILES CC(=O)COC(=O)C
Synonym Acetoxypropanone,Acetylmethyl Acetate,Acetyloxyacetone,NSC 2298,NSC 7614,O-Acetylacetol,1-(Acetyloxy)propan-2-one,1-Acetoxy-2-propanone,1-Acetoxyacetone,1-Hydroxy-2-propanone Acetate,2-Oxopropyl Acetate,Acetic Acid Acetonyl Ester,Acetol Acetate,Acetonyl Acetate;
IUPAC Name 2-oxopropyl acetate
Molecular Formula C5H8O3
3

Pyoluteorin, TRC

CAS: 25683-07-2 Molecular Formula: C11 H7 Cl2 N O3 Molecular Weight (g/mol): 272.0842 Synonym: Ketone, 4,5-dichloropyrrol-2-yl 2,6-dihydroxyphenyl (7CI,8CI),Pyoluteorin (6CI),(4,5-Dichloro-1H-pyrrol-2-yl)(2,6-dihydroxyphenyl)methanone,4,5-Dichloropyrrol-2-yl 2,6-dihydroxyphenylketone,NSC 143092 IUPAC Name: (4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone SMILES: Oc1cccc(O)c1C(=O)c2cc(Cl)c(Cl)[nH]2

CAS 25683-07-2
Molecular Weight (g/mol) 272.0842
SMILES Oc1cccc(O)c1C(=O)c2cc(Cl)c(Cl)[nH]2
Synonym Ketone, 4,5-dichloropyrrol-2-yl 2,6-dihydroxyphenyl (7CI,8CI),Pyoluteorin (6CI),(4,5-Dichloro-1H-pyrrol-2-yl)(2,6-dihydroxyphenyl)methanone,4,5-Dichloropyrrol-2-yl 2,6-dihydroxyphenylketone,NSC 143092
IUPAC Name (4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
Molecular Formula C11 H7 Cl2 N O3
4

Adrenalone, TRC

CAS: 99-45-6 Molecular Formula: C9 H11 N O3 Molecular Weight (g/mol): 181.19 Synonym: Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-,Acetophenone, 3',4'-dihydroxy-2-(methylamino)- (7CI,8CI),Adrenalone (6CI),1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethanone,3,4-Dihydroxy-α-methylaminoacetophenone,3',4'-Dihydroxy-2-(methylamino)acetophenone,4-Methylaminoacetopyrocatechol,Adrenolone,Adrenon,Adrenone,Chemosan,Haemodan,Kephrine,Ketogaze,Methaminoacetocatechol,NSC 243611,Stryphnon,Stryphnone,Styphnone,Stypnon,Stypnone,U 2134 IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone SMILES: CNCC(=O)c1ccc(O)c(O)c1

CAS 99-45-6
Molecular Weight (g/mol) 181.19
SMILES CNCC(=O)c1ccc(O)c(O)c1
Synonym Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-,Acetophenone, 3',4'-dihydroxy-2-(methylamino)- (7CI,8CI),Adrenalone (6CI),1-(3,4-Dihydroxyphenyl)-2-(methylamino)ethanone,3,4-Dihydroxy-α-methylaminoacetophenone,3',4'-Dihydroxy-2-(methylamino)acetophenone,4-Methylaminoacetopyrocatechol,Adrenolone,Adrenon,Adrenone,Chemosan,Haemodan,Kephrine,Ketogaze,Methaminoacetocatechol,NSC 243611,Stryphnon,Stryphnone,Styphnone,Stypnon,Stypnone,U 2134
IUPAC Name 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
Molecular Formula C9 H11 N O3
5

AACOCF3, TRC

CAS: 149301-79-1 Molecular Formula: C21H31F3O Molecular Weight (g/mol): 356.47 Synonym: (all-Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one,(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one,AN 20579,ATFMK,Arachidonyl Trifluoromethyl Ketone,BM 162353,L 734575,(all-Z)-1,1-Trifluoro-,PACOCF31,AACOCF3 SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F

CAS 149301-79-1
Molecular Weight (g/mol) 356.47
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Synonym (all-Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one,(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one,AN 20579,ATFMK,Arachidonyl Trifluoromethyl Ketone,BM 162353,L 734575,(all-Z)-1,1-Trifluoro-,PACOCF31,AACOCF3
Molecular Formula C21H31F3O
6

Iloperidone, TRC

CAS: 133454-47-4 Molecular Formula: C24 H27 F N2 O4 Molecular Weight (g/mol): 426.48 Synonym: Ethanone, 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-,1,2-Benzisoxazole, ethanone deriv.,1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone,Fanapt,Fanapta,HP 873,Iloperidone,Ilopt,Zomaril IUPAC Name: 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone SMILES: COc1cc(ccc1OCCCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)C

CAS 133454-47-4
Molecular Weight (g/mol) 426.48
SMILES COc1cc(ccc1OCCCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)C
Synonym Ethanone, 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-,1,2-Benzisoxazole, ethanone deriv.,1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone,Fanapt,Fanapta,HP 873,Iloperidone,Ilopt,Zomaril
IUPAC Name 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Molecular Formula C24 H27 F N2 O4
7

Hydroxypropanedial, TRC

CAS: 497-15-4 Molecular Formula: C3 H4 O3 Molecular Weight (g/mol): 88.06 IUPAC Name: 2-hydroxypropanedial SMILES: OC(C=O)C=O

CAS 497-15-4
Molecular Weight (g/mol) 88.06
SMILES OC(C=O)C=O
IUPAC Name 2-hydroxypropanedial
Molecular Formula C3 H4 O3
8

Salicylaldehyde, TRC

CAS: 90-02-8 Molecular Formula: C7 H6 O2 Molecular Weight (g/mol): 122.12 Synonym: Salicylaldehyde,Benzaldehyde, 2-hydroxy-,Salicylaldehyde (8CI),2-Hydroxybenzaldehyde,2-Formylphenol,2-Hydroxy-1-benzaldehyde,NSC 112278,NSC 49178,NSC 83559,NSC 83560,NSC 83561,NSC 83562,NSC 97202,Salicylal,Salicylic aldehyde,o-Formylphenol,o-Hydroxybenzaldehyde IUPAC Name: 2-hydroxybenzaldehyde SMILES: Oc1ccccc1C=O

CAS 90-02-8
Molecular Weight (g/mol) 122.12
SMILES Oc1ccccc1C=O
Synonym Salicylaldehyde,Benzaldehyde, 2-hydroxy-,Salicylaldehyde (8CI),2-Hydroxybenzaldehyde,2-Formylphenol,2-Hydroxy-1-benzaldehyde,NSC 112278,NSC 49178,NSC 83559,NSC 83560,NSC 83561,NSC 83562,NSC 97202,Salicylal,Salicylic aldehyde,o-Formylphenol,o-Hydroxybenzaldehyde
IUPAC Name 2-hydroxybenzaldehyde
Molecular Formula C7 H6 O2
9

Tolmetine, TRC

CAS: 26171-23-3 Molecular Formula: C15 H15 N O3 Molecular Weight (g/mol): 257.28 Synonym: 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-,Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl- (8CI),1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid,1-Methyl-5-p-toluoylpyrrole-2-acetic acid,5-[(p-Tolyl)carbonyl]-1-methylpyrrole-2-acetic acid,McN 2559,Tolmetin,Tolmetine IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid SMILES: Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C

CAS 26171-23-3
Molecular Weight (g/mol) 257.28
SMILES Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C
Synonym 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-,Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl- (8CI),1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid,1-Methyl-5-p-toluoylpyrrole-2-acetic acid,5-[(p-Tolyl)carbonyl]-1-methylpyrrole-2-acetic acid,McN 2559,Tolmetin,Tolmetine
IUPAC Name 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
Molecular Formula C15 H15 N O3
10

Pentachloroacetone, TRC

CAS: 1768-31-6 Molecular Formula: C3 H Cl5 O Molecular Weight (g/mol): 230.3 Synonym: 1,1,1,3,3-Pentachloro-2-propanone,Pentachloro-2-propanone,1,1,1,3,3-Pentachloropropanone; IUPAC Name: 1,1,1,3,3-pentachloropropan-2-one SMILES: ClC(Cl)C(=O)C(Cl)(Cl)Cl

CAS 1768-31-6
Molecular Weight (g/mol) 230.3
SMILES ClC(Cl)C(=O)C(Cl)(Cl)Cl
Synonym 1,1,1,3,3-Pentachloro-2-propanone,Pentachloro-2-propanone,1,1,1,3,3-Pentachloropropanone;
IUPAC Name 1,1,1,3,3-pentachloropropan-2-one
Molecular Formula C3 H Cl5 O
11

Nonanal, TRC

CAS: 124-19-6 Molecular Formula: C9 H18 O Molecular Weight (g/mol): 142.24 IUPAC Name: nonanal SMILES: CCCCCCCCC=O

CAS 124-19-6
Molecular Weight (g/mol) 142.24
SMILES CCCCCCCCC=O
IUPAC Name nonanal
Molecular Formula C9 H18 O
12

Azaperone, TRC

CAS: 1649-18-9 Molecular Formula: C19 H22 F N3 O Molecular Weight (g/mol): 327.4 Synonym: Butyrophenone, 4'-fluoro-4-[4-(2-pyridyl)-1-piperazinyl]- (6CI,8CI),1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone,4'-Fluoro-4-[4-(2-pyridyl)-1-piperazinyl]butyrophenone,Azaperone,Fluoperidol,NSC 170976,R-1929,Stresnil,Suicalm IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one SMILES: Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3

CAS 1649-18-9
Molecular Weight (g/mol) 327.4
SMILES Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3
Synonym Butyrophenone, 4'-fluoro-4-[4-(2-pyridyl)-1-piperazinyl]- (6CI,8CI),1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone,4'-Fluoro-4-[4-(2-pyridyl)-1-piperazinyl]butyrophenone,Azaperone,Fluoperidol,NSC 170976,R-1929,Stresnil,Suicalm
IUPAC Name 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Molecular Formula C19 H22 F N3 O
13

Heptanal, TRC

CAS: 111-71-7 Molecular Formula: C7 H14 O Molecular Weight (g/mol): 114.19 Synonym: Heptanal,1-Heptaldehyde,Enanthal,Enanthaldehyde,Enanthic aldehyde,Enanthole,Heptaldehyde,Heptanaldehyde,Heptyl aldehyde,NSC 2190,Oenanthal,Oenanthaldehyde,Oenanthic aldehyde,Oenanthol,n-Heptaldehyde,n-Heptanal,n-Heptylaldehyde IUPAC Name: heptanal SMILES: CCCCCCC=O

CAS 111-71-7
Molecular Weight (g/mol) 114.19
SMILES CCCCCCC=O
Synonym Heptanal,1-Heptaldehyde,Enanthal,Enanthaldehyde,Enanthic aldehyde,Enanthole,Heptaldehyde,Heptanaldehyde,Heptyl aldehyde,NSC 2190,Oenanthal,Oenanthaldehyde,Oenanthic aldehyde,Oenanthol,n-Heptaldehyde,n-Heptanal,n-Heptylaldehyde
IUPAC Name heptanal
Molecular Formula C7 H14 O
14

Acetaldehyde, TRC

CAS: 75-07-0 Molecular Formula: C2 H4 O Molecular Weight (g/mol): 44.05 Synonym: Acetaldehyde (8CI, 9CI, ACI),Acetic aldehyde,Ethanal,Ethyl aldehyde,MeSH ID: D000079,NSC 7594 IUPAC Name: acetaldehyde SMILES: CC=O

CAS 75-07-0
Molecular Weight (g/mol) 44.05
SMILES CC=O
Synonym Acetaldehyde (8CI, 9CI, ACI),Acetic aldehyde,Ethanal,Ethyl aldehyde,MeSH ID: D000079,NSC 7594
IUPAC Name acetaldehyde
Molecular Formula C2 H4 O
15

Fenbufen, TRC

CAS: 36330-85-5 Molecular Formula: C16 H14 O3 Molecular Weight (g/mol): 254.28 Synonym: 3-(4-Biphenylcarbonyl)propionic acid,3-(4-Phenylbenzoyl)propionic acid,3-[(Biphenyl-4-yl)carbonyl]propionic acid,4-(1,1'-Biphenyl-4-yl)-4-oxobutanoic acid,4-(4-Phenylphenyl)-4-oxobutyric acid,4-(Biphenyl-4-yl)-4-oxobutanoic acid,Bufemid,CL 82204,Cinopal,Cinopol,Fenbufen,Lederfen,Napanol,γ-Oxo[1,1'-biphenyl]-4-butanoic acid IUPAC Name: 4-oxo-4-(4-phenylphenyl)butanoic acid SMILES: OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2

CAS 36330-85-5
Molecular Weight (g/mol) 254.28
SMILES OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2
Synonym 3-(4-Biphenylcarbonyl)propionic acid,3-(4-Phenylbenzoyl)propionic acid,3-[(Biphenyl-4-yl)carbonyl]propionic acid,4-(1,1'-Biphenyl-4-yl)-4-oxobutanoic acid,4-(4-Phenylphenyl)-4-oxobutyric acid,4-(Biphenyl-4-yl)-4-oxobutanoic acid,Bufemid,CL 82204,Cinopal,Cinopol,Fenbufen,Lederfen,Napanol,γ-Oxo[1,1'-biphenyl]-4-butanoic acid
IUPAC Name 4-oxo-4-(4-phenylphenyl)butanoic acid
Molecular Formula C16 H14 O3