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1-hydroxy-2-unsubstituted benzenoids

Aromatic organic compounds that contain a hydroxyl functional group (R-OH, where each R is a benzene ring) with no substituents in the adjacent carbon, or the second position, in the benzene ring.

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1

4-Tritylphenol, 98%

CAS: 978-86-9 Molecular Formula: C25H20O Molecular Weight (g/mol): 336.43 MDL Number: MFCD00002364 InChI Key: NIPKXTKKYSKEON-UHFFFAOYSA-N Synonym: 4-triphenylmethylphenol,4-triphenylmethyl phenol,p-tritylphenol,p-triphenylmethylphenol,phenol, 4-triphenylmethyl,p-cresol, .alpha.,.alpha.,.alpha.-triphenyl,4-tritylphenol,p-triphenylmethyl phenol,4-tri phenyl methyl phenol,phenol,4-triphenylmethyl PubChem CID: 70422 IUPAC Name: 4-tritylphenol SMILES: OC1=CC=C(C=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 70422
CAS 978-86-9
Molecular Weight (g/mol) 336.43
MDL Number MFCD00002364
SMILES OC1=CC=C(C=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 4-triphenylmethylphenol,4-triphenylmethyl phenol,p-tritylphenol,p-triphenylmethylphenol,phenol, 4-triphenylmethyl,p-cresol, .alpha.,.alpha.,.alpha.-triphenyl,4-tritylphenol,p-triphenylmethyl phenol,4-tri phenyl methyl phenol,phenol,4-triphenylmethyl
IUPAC Name 4-tritylphenol
InChI Key NIPKXTKKYSKEON-UHFFFAOYSA-N
Molecular Formula C25H20O
2

Ethyl 4-hydroxymandelate, 98%

CAS: 68758-68-9 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00020180 InChI Key: VLOUFSKXRCPIQR-UHFFFAOYNA-N Synonym: ethyl 2-hydroxy-2-4-hydroxyphenyl acetate,ethyl 4-hydroxymandelate,ethyl 4-hydroxy-dl-mandelate,ethyl alpha,4-dihydroxyphenylacetate,4-hydroxymandelic acid ethyl ester,benzeneacetic acid, .alpha.,4-dihydroxy-, ethyl ester,benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester,ethyl hydroxy 4-hydroxyphenyl acetate,ethyl hydroxy 4-hydroxyphenyl acetate #,4-2-ethoxy-1-hydroxy-2-oxoethyl phenol PubChem CID: 111357 IUPAC Name: ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate SMILES: CCOC(=O)C(O)C1=CC=C(O)C=C1

PubChem CID 111357
CAS 68758-68-9
Molecular Weight (g/mol) 196.20
MDL Number MFCD00020180
SMILES CCOC(=O)C(O)C1=CC=C(O)C=C1
Synonym ethyl 2-hydroxy-2-4-hydroxyphenyl acetate,ethyl 4-hydroxymandelate,ethyl 4-hydroxy-dl-mandelate,ethyl alpha,4-dihydroxyphenylacetate,4-hydroxymandelic acid ethyl ester,benzeneacetic acid, .alpha.,4-dihydroxy-, ethyl ester,benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester,ethyl hydroxy 4-hydroxyphenyl acetate,ethyl hydroxy 4-hydroxyphenyl acetate #,4-2-ethoxy-1-hydroxy-2-oxoethyl phenol
IUPAC Name ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
InChI Key VLOUFSKXRCPIQR-UHFFFAOYNA-N
Molecular Formula C10H12O4
3

rac-Synephrine Hydrochloride, TRC

CAS: 5985-28-4 Molecular Formula: C9 H13 N O2 . Cl H Molecular Weight (g/mol): 203.67 Synonym: Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1),Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, hydrochloride (9CI),Benzyl alcohol, p-hydroxy-α-[(methylamino)methyl]-, hydrochloride (8CI),Oxedrine hydrochloride,Synephrine hydrochloride,p-Hydroxy-α-(methylaminomethyl)benzyl alcohol hydrochloride IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride SMILES: Cl.CNCC(O)c1ccc(O)cc1

CAS 5985-28-4
Molecular Weight (g/mol) 203.67
SMILES Cl.CNCC(O)c1ccc(O)cc1
Synonym Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1),Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, hydrochloride (9CI),Benzyl alcohol, p-hydroxy-α-[(methylamino)methyl]-, hydrochloride (8CI),Oxedrine hydrochloride,Synephrine hydrochloride,p-Hydroxy-α-(methylaminomethyl)benzyl alcohol hydrochloride
IUPAC Name 4-[1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
Molecular Formula C9 H13 N O2 . Cl H
4

Deterenol Hydrochloride, TRC

CAS: 23239-36-3 Molecular Formula: C11H18ClNO2 Molecular Weight (g/mol): 231.72 Synonym: Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (9CI),Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, hydrochloride, (±)-,Benzyl alcohol, p-hydroxy-α-[(isopropylamino)methyl]-, hydrochloride, (±)- (8CI),(±)-1-(4-Hydroxyphenyl)-2-isopropylaminoethanol hydrochloride,Detenerol hydrochloride,Deterenol hydrochloride,dl-1-(4-Hydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride,Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (1:1) IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol;hydrochloride SMILES: Cl.CC(C)NCC(O)c1ccc(O)cc1

CAS 23239-36-3
Molecular Weight (g/mol) 231.72
SMILES Cl.CC(C)NCC(O)c1ccc(O)cc1
Synonym Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (9CI),Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, hydrochloride, (±)-,Benzyl alcohol, p-hydroxy-α-[(isopropylamino)methyl]-, hydrochloride, (±)- (8CI),(±)-1-(4-Hydroxyphenyl)-2-isopropylaminoethanol hydrochloride,Detenerol hydrochloride,Deterenol hydrochloride,dl-1-(4-Hydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride,Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (1:1)
IUPAC Name 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol;hydrochloride
Molecular Formula C11H18ClNO2
5

Bamethan Hemisulfate Salt, TRC

CAS: 5716-20-1 Molecular Formula: 2 C12 H19 N O2 . H2 O4 S Molecular Weight (g/mol): 516.648 Synonym: Benzenemethanol, α-[(butylamino)methyl]-4-hydroxy-, sulfate (2:1) (salt) (9CI),Benzyl alcohol, α-[(butylamino)methyl]-p-hydroxy-, sulfate (2:1) (salt) (8CI),(±)-1-(4-Hydroxyphenyl)-1-hydroxy-2-butylaminoethane sulfate,1-(4-Hydroxyphenyl)-2-butylaminoethanol-sulfate,2-n-Butylamino-1-(p-hydroxyphenyl)ethanol sulfate,Bametan sulfate,Bamethan sulfate,Bascurat,Bupatol,Butedrin,Butibatol,Butylnorsympatol,Cyclate,Eclern,Garmian,Periphetol,Rotesar,Vasculat,Vasculit,Vaskulat,α-[(Butylamino)methyl]-p-hydroxybenzyl alcohol sulfate (2:1),Benzenemethanol, α-[(butylamino)methyl]-4-hydroxy-, sulfate (2:1),Bamethan Sulfate IUPAC Name: 4-[2-(butylamino)-1-hydroxyethyl]phenol;sulfuric acid SMILES: CCCCNCC(O)c1ccc(O)cc1.CCCCNCC(O)c2ccc(O)cc2.OS(=O)(=O)O

CAS 5716-20-1
Molecular Weight (g/mol) 516.648
SMILES CCCCNCC(O)c1ccc(O)cc1.CCCCNCC(O)c2ccc(O)cc2.OS(=O)(=O)O
Synonym Benzenemethanol, α-[(butylamino)methyl]-4-hydroxy-, sulfate (2:1) (salt) (9CI),Benzyl alcohol, α-[(butylamino)methyl]-p-hydroxy-, sulfate (2:1) (salt) (8CI),(±)-1-(4-Hydroxyphenyl)-1-hydroxy-2-butylaminoethane sulfate,1-(4-Hydroxyphenyl)-2-butylaminoethanol-sulfate,2-n-Butylamino-1-(p-hydroxyphenyl)ethanol sulfate,Bametan sulfate,Bamethan sulfate,Bascurat,Bupatol,Butedrin,Butibatol,Butylnorsympatol,Cyclate,Eclern,Garmian,Periphetol,Rotesar,Vasculat,Vasculit,Vaskulat,α-[(Butylamino)methyl]-p-hydroxybenzyl alcohol sulfate (2:1),Benzenemethanol, α-[(butylamino)methyl]-4-hydroxy-, sulfate (2:1),Bamethan Sulfate
IUPAC Name 4-[2-(butylamino)-1-hydroxyethyl]phenol;sulfuric acid
Molecular Formula 2 C12 H19 N O2 . H2 O4 S
6

rac Octopamine Hydrochloride, TRC

CAS: 770-05-8 Molecular Formula: C8 H11 N O2 . Cl H Molecular Weight (g/mol): 189.64 Synonym: Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride (9CI),Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride, (±)-,Benzyl alcohol, α-(aminomethyl)-p-hydroxy-, hydrochloride, (±)- (8CI),(±)-Octopamine hydrochloride,(±)-p-Octopamaine hydrochloride,2-Amino-1-(4-hydroxyphenyl)ethanol hydrochloride,4-(2-Amino-1-hydroxyethyl)phenol hydrochloride,DL-2-Amino-1-(4-hydroxyphenyl)ethanol hydrochloride,DL-Octopamine hydrochloride,Epirenor,NSC 108685,Norfen,Octopamine hydrochloride,dl-Octopamine hydrochloride IUPAC Name: 4-(2-amino-1-hydroxyethyl)phenol;hydrochloride SMILES: Cl.NCC(O)c1ccc(O)cc1

CAS 770-05-8
Molecular Weight (g/mol) 189.64
SMILES Cl.NCC(O)c1ccc(O)cc1
Synonym Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride (9CI),Benzenemethanol, α-(aminomethyl)-4-hydroxy-, hydrochloride, (±)-,Benzyl alcohol, α-(aminomethyl)-p-hydroxy-, hydrochloride, (±)- (8CI),(±)-Octopamine hydrochloride,(±)-p-Octopamaine hydrochloride,2-Amino-1-(4-hydroxyphenyl)ethanol hydrochloride,4-(2-Amino-1-hydroxyethyl)phenol hydrochloride,DL-2-Amino-1-(4-hydroxyphenyl)ethanol hydrochloride,DL-Octopamine hydrochloride,Epirenor,NSC 108685,Norfen,Octopamine hydrochloride,dl-Octopamine hydrochloride
IUPAC Name 4-(2-amino-1-hydroxyethyl)phenol;hydrochloride
Molecular Formula C8 H11 N O2 . Cl H
7

(S)-4-(1-Aminoethyl)phenol, 97%

CAS: 221670-72-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD03844646 InChI Key: CDQPLIAKRDYOCB-UHFFFAOYNA-N PubChem CID: 41097924 IUPAC Name: 4-[(1S)-1-aminoethyl]phenol SMILES: CC(N)C1=CC=C(O)C=C1

PubChem CID 41097924
CAS 221670-72-0
Molecular Weight (g/mol) 137.18
MDL Number MFCD03844646
SMILES CC(N)C1=CC=C(O)C=C1
IUPAC Name 4-[(1S)-1-aminoethyl]phenol
InChI Key CDQPLIAKRDYOCB-UHFFFAOYNA-N
Molecular Formula C8H11NO
8

4-Hydroxymandelic Acid Monohydrate, TRC

CAS: 184901-84-6 Molecular Formula: C8H8O4 . H2O Molecular Weight (g/mol): 186.16 Synonym: alpha,4-Dihydroxybenzeneacetic Acid IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate SMILES: O.OC(C(=O)O)c1ccc(O)cc1

CAS 184901-84-6
Molecular Weight (g/mol) 186.16
SMILES O.OC(C(=O)O)c1ccc(O)cc1
Synonym alpha,4-Dihydroxybenzeneacetic Acid
IUPAC Name 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate
Molecular Formula C8H8O4 . H2O