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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

Oxyphenbutazone, TRC

CAS: 129-20-4 Molecular Formula: C19 H20 N2 O3 Molecular Weight (g/mol): 324.37 Synonym: 3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl- (6CI,7CI,8CI),4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione,1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione,1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine,1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidine,1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-n-butylpyrazolidine,4-Butyl-2-(4-hydroxyphenyl)-1-phenyl-3,5-dioxopyrazolidine,4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,4-pyrazolidinedione,4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione,Butapirone,Californit,Crovaril,Flamaril,Floghene,Flogitolo,Flogoril,Frabel,G 27202,Metabolite I,NSC 526053,Neo-Farmadol,Offitril,Oxalid,Oxazolidin,Oxyphenbutazone,Oxyphenobutazone,Oxyphenylbutazone,Rapostan,Ro 04-4410,Romaxin,Suganril,Tandacote,Tandearil,Tanderil,Telidal,Tendearil,Visubutina,p-Hydroxyphenylbutazone,p-Oxyphenylbutazone IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione SMILES: CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3

CAS 129-20-4
Molecular Weight (g/mol) 324.37
SMILES CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
Synonym 3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl- (6CI,7CI,8CI),4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione,1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione,1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine,1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidine,1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-n-butylpyrazolidine,4-Butyl-2-(4-hydroxyphenyl)-1-phenyl-3,5-dioxopyrazolidine,4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,4-pyrazolidinedione,4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione,Butapirone,Californit,Crovaril,Flamaril,Floghene,Flogitolo,Flogoril,Frabel,G 27202,Metabolite I,NSC 526053,Neo-Farmadol,Offitril,Oxalid,Oxazolidin,Oxyphenbutazone,Oxyphenobutazone,Oxyphenylbutazone,Rapostan,Ro 04-4410,Romaxin,Suganril,Tandacote,Tandearil,Tanderil,Telidal,Tendearil,Visubutina,p-Hydroxyphenylbutazone,p-Oxyphenylbutazone
IUPAC Name 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
Molecular Formula C19 H20 N2 O3
3

Methyl 4-hydroxyphenylacetate, 98+%

CAS: 14199-15-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002387 InChI Key: XGDZEDRBLVIUMX-UHFFFAOYSA-N Synonym: methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester PubChem CID: 518900 ChEBI: CHEBI:68078 IUPAC Name: methyl 2-(4-hydroxyphenyl)acetate SMILES: COC(=O)CC1=CC=C(C=C1)O

PubChem CID 518900
CAS 14199-15-6
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:68078
MDL Number MFCD00002387
SMILES COC(=O)CC1=CC=C(C=C1)O
Synonym methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester
IUPAC Name methyl 2-(4-hydroxyphenyl)acetate
InChI Key XGDZEDRBLVIUMX-UHFFFAOYSA-N
Molecular Formula C9H10O3
4

3-(4-Hydroxyphenyl)propionitrile, 98%

CAS: 17362-17-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00016492 InChI Key: KDMJGLYRWRHKJS-UHFFFAOYSA-N Synonym: 3-4-hydroxyphenyl propionitrile,3-4-hydroxyphenyl propanenitrile,benzenepropanenitrile, 4-hydroxy,3-p-hydroxyphenyl propiononitrile,3-4-hydroxy-phenyl-propionitrile,.beta.-4-hydroxyphenyl propionitrile,pubchem13636,acmc-1bvt5,4-hydroxyhydrocinnamonitrile,4-hydroxyphenylpropionitrile PubChem CID: 87079 IUPAC Name: 3-(4-hydroxyphenyl)propanenitrile SMILES: OC1=CC=C(CCC#N)C=C1

PubChem CID 87079
CAS 17362-17-3
Molecular Weight (g/mol) 147.18
MDL Number MFCD00016492
SMILES OC1=CC=C(CCC#N)C=C1
Synonym 3-4-hydroxyphenyl propionitrile,3-4-hydroxyphenyl propanenitrile,benzenepropanenitrile, 4-hydroxy,3-p-hydroxyphenyl propiononitrile,3-4-hydroxy-phenyl-propionitrile,.beta.-4-hydroxyphenyl propionitrile,pubchem13636,acmc-1bvt5,4-hydroxyhydrocinnamonitrile,4-hydroxyphenylpropionitrile
IUPAC Name 3-(4-hydroxyphenyl)propanenitrile
InChI Key KDMJGLYRWRHKJS-UHFFFAOYSA-N
Molecular Formula C9H9NO
5

Methyl 4-hydroxyphenylacetate, 99%

CAS: 14199-15-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002387 InChI Key: XGDZEDRBLVIUMX-UHFFFAOYSA-N Synonym: methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester PubChem CID: 518900 ChEBI: CHEBI:68078 IUPAC Name: methyl 2-(4-hydroxyphenyl)acetate SMILES: COC(=O)CC1=CC=C(C=C1)O

PubChem CID 518900
CAS 14199-15-6
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:68078
MDL Number MFCD00002387
SMILES COC(=O)CC1=CC=C(C=C1)O
Synonym methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester
IUPAC Name methyl 2-(4-hydroxyphenyl)acetate
InChI Key XGDZEDRBLVIUMX-UHFFFAOYSA-N
Molecular Formula C9H10O3
7

4-Hydroxyphenylacetic Acid, TRC

CAS: 156-38-7 Molecular Formula: C8 H8 O3 Molecular Weight (g/mol): 152.15 Synonym: 4-Hydroxyphenylacetic acid,Benzeneacetic acid, 4-hydroxy-,Acetic acid, (p-hydroxyphenyl)- (8CI),4-Hydroxybenzeneacetic acid,(4-Hydroxyphenyl)acetic acid,(p-Hydroxyphenyl)acetic acid,2-(4'-Hydroxyphenyl)acetic acid,2-[4-(Hydroxy)phenyl]acetic acid,4-(Carboxymethyl)phenol,4'-Hydroxyphenylacetic acid,Hydroxyphenylacetic acid,NSC 25066,NSC 27460,p-Hydroxybenzeneacetic acid IUPAC Name: 2-(4-hydroxyphenyl)acetic acid SMILES: OC(=O)Cc1ccc(O)cc1

CAS 156-38-7
Molecular Weight (g/mol) 152.15
SMILES OC(=O)Cc1ccc(O)cc1
Synonym 4-Hydroxyphenylacetic acid,Benzeneacetic acid, 4-hydroxy-,Acetic acid, (p-hydroxyphenyl)- (8CI),4-Hydroxybenzeneacetic acid,(4-Hydroxyphenyl)acetic acid,(p-Hydroxyphenyl)acetic acid,2-(4'-Hydroxyphenyl)acetic acid,2-[4-(Hydroxy)phenyl]acetic acid,4-(Carboxymethyl)phenol,4'-Hydroxyphenylacetic acid,Hydroxyphenylacetic acid,NSC 25066,NSC 27460,p-Hydroxybenzeneacetic acid
IUPAC Name 2-(4-hydroxyphenyl)acetic acid
Molecular Formula C8 H8 O3
8

4-(4’-Hydroxyphenyl)-2-butanone, TRC

CAS: 5471-51-2 Molecular Formula: C10 H12 O2 Molecular Weight (g/mol): 164.2 Synonym: Frambinone,4-(4-Hydroxyphenyl)butan-2-one,2-Butanone, 4-(4-hydroxyphenyl)-,2-Butanone, 4-(p-hydroxyphenyl)- (6CI,7CI,8CI),4-(4-Hydroxyphenyl)-2-butanone,(4-Hydroxybenzyl)acetone,(p-Hydroxybenzyl)acetone,1-(4-Hydroxyphenyl)-3-butanone,1-(p-Hydroxyphenyl)-3-butanone,4-(3-Oxobutyl)phenol,4-(4-Hydroxy-1-phenyl)-2-butanone,4-(4'-Hydroxyphenyl)-2-butanone,4-(p-Hydroxyphenyl)-2-butanone,Frambinone,NSC 26515,Oxyphenylon,Raspberry ketone,Rheosmin IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one SMILES: CC(=O)CCc1ccc(O)cc1

CAS 5471-51-2
Molecular Weight (g/mol) 164.2
SMILES CC(=O)CCc1ccc(O)cc1
Synonym Frambinone,4-(4-Hydroxyphenyl)butan-2-one,2-Butanone, 4-(4-hydroxyphenyl)-,2-Butanone, 4-(p-hydroxyphenyl)- (6CI,7CI,8CI),4-(4-Hydroxyphenyl)-2-butanone,(4-Hydroxybenzyl)acetone,(p-Hydroxybenzyl)acetone,1-(4-Hydroxyphenyl)-3-butanone,1-(p-Hydroxyphenyl)-3-butanone,4-(3-Oxobutyl)phenol,4-(4-Hydroxy-1-phenyl)-2-butanone,4-(4'-Hydroxyphenyl)-2-butanone,4-(p-Hydroxyphenyl)-2-butanone,Frambinone,NSC 26515,Oxyphenylon,Raspberry ketone,Rheosmin
IUPAC Name 4-(4-hydroxyphenyl)butan-2-one
Molecular Formula C10 H12 O2
9

4-Hydroxy-3-nitrobiphenyl, 97%, Thermo Scientific™

CAS: 885-82-5 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.208 MDL Number: MFCD00014694 InChI Key: JDDNJJBXFOLPKX-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobiphenyl,3-nitrobiphenyl-4-ol,3-nitro-1,1'-biphenyl-4-ol,3-nitro 1,1'-biphenyl-4-ol,ccris 5769,2-nitro-4-phenyl-phenol,4-phenyl-2-nitrophenol,acmc-209qum,nitrophenylphenol,3-nitro-4-hydroxybiphenyl PubChem CID: 13447 IUPAC Name: 2-nitro-4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-]

PubChem CID 13447
CAS 885-82-5
Molecular Weight (g/mol) 215.208
MDL Number MFCD00014694
SMILES C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-]
Synonym 4-hydroxy-3-nitrobiphenyl,3-nitrobiphenyl-4-ol,3-nitro-1,1'-biphenyl-4-ol,3-nitro 1,1'-biphenyl-4-ol,ccris 5769,2-nitro-4-phenyl-phenol,4-phenyl-2-nitrophenol,acmc-209qum,nitrophenylphenol,3-nitro-4-hydroxybiphenyl
IUPAC Name 2-nitro-4-phenylphenol
InChI Key JDDNJJBXFOLPKX-UHFFFAOYSA-N
Molecular Formula C12H9NO3
10

DL-4-Hydroxymandelic acid monohydrate, 97%

CAS: 184901-84-6 Molecular Formula: C8H10O5 Molecular Weight (g/mol): 186.163 MDL Number: MFCD00149283 InChI Key: ATPBHLAWGXOMOR-UHFFFAOYSA-N Synonym: 2-hydroxy-2-4-hydroxyphenyl acetic acid hydrate,4-hydroxymandelic acid monohydrate,dl-4-hydroxymandelic acid monohydrate,4-hydroxymandelic acid hydrate,3-hydroxymandelic acid monohydrate,hydroxy 4-hydroxyphenyl acetic acid-water 1/1,hydroxy-4-hydroxy-phenyl-acetic acid monohydrate,benzeneacetic acid, a,4-dihydroxy-, hydrate 1:1 PubChem CID: 12677290 IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate SMILES: C1=CC(=CC=C1C(C(=O)O)O)O.O

PubChem CID 12677290
CAS 184901-84-6
Molecular Weight (g/mol) 186.163
MDL Number MFCD00149283
SMILES C1=CC(=CC=C1C(C(=O)O)O)O.O
Synonym 2-hydroxy-2-4-hydroxyphenyl acetic acid hydrate,4-hydroxymandelic acid monohydrate,dl-4-hydroxymandelic acid monohydrate,4-hydroxymandelic acid hydrate,3-hydroxymandelic acid monohydrate,hydroxy 4-hydroxyphenyl acetic acid-water 1/1,hydroxy-4-hydroxy-phenyl-acetic acid monohydrate,benzeneacetic acid, a,4-dihydroxy-, hydrate 1:1
IUPAC Name 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate
InChI Key ATPBHLAWGXOMOR-UHFFFAOYSA-N
Molecular Formula C8H10O5
11

Honokiol, Tocris Bioscience™
GREENER_CHOICE

CAS: 35354-74-6 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 InChI Key: FVYXIJYOAGAUQK-UHFFFAOYSA-N Synonym: honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl PubChem CID: 72303 ChEBI: CHEBI:5759 IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

PubChem CID 72303
CAS 35354-74-6
Molecular Weight (g/mol) 266.34
ChEBI CHEBI:5759
SMILES C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Synonym honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl
IUPAC Name 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
InChI Key FVYXIJYOAGAUQK-UHFFFAOYSA-N
Molecular Formula C18H18O2