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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4-Nitrophenol, 99%

CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	980
CAS	100-02-7
Molecular Weight (g/mol)	139.11
ChEBI	CHEBI:16836
MDL Number	MFCD00007331
SMILES	OC1=CC=C(C=C1)[N+]([O-])=O
Synonym	p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo
IUPAC Name	4-nitrophenol
InChI Key	BTJIUGUIPKRLHP-UHFFFAOYSA-N
Molecular Formula	C6H5NO3

4-Acetamidophenol, 98%

CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1

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PubChem CID	1983
CAS	103-90-2
Molecular Weight (g/mol)	151.17
ChEBI	CHEBI:46195
MDL Number	MFCD00002328
SMILES	CC(=O)NC1=CC=C(O)C=C1
Synonym	acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol
IUPAC Name	N-(4-hydroxyphenyl)acetamide
InChI Key	RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

4-Hydroxybenzoic Acid, 99+%

CAS: 99-96-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002547 InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N Synonym: p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german PubChem CID: 135 ChEBI: CHEBI:30763 IUPAC Name: 4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1

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PubChem CID	135
CAS	99-96-7
Molecular Weight (g/mol)	138.12
ChEBI	CHEBI:30763
MDL Number	MFCD00002547
SMILES	OC(=O)C1=CC=C(O)C=C1
Synonym	p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german
IUPAC Name	4-hydroxybenzoic acid
InChI Key	FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula	C7H6O3

D-delta-Tocopherol, 93%

CAS: 119-13-1 Molecular Formula: C27H46O2 Molecular Weight (g/mol): 402.66 MDL Number: MFCD20486794 InChI Key: GZIFEOYASATJEH-VHFRWLAGSA-N Synonym: delta-tocopherol,unii-r0zb2556p8 component,unii-zl0rfa4e5n component,s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-2h-1-benzopyran-6-ol,2s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-1-benzopyran-6-ol,2h-1-benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-4r,8r-4,8,12-trimethyltridecyl-, 2r PubChem CID: 12444418 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=CC(O)=CC(C)=C2O1

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PubChem CID	12444418
CAS	119-13-1
Molecular Weight (g/mol)	402.66
MDL Number	MFCD20486794
SMILES	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=CC(O)=CC(C)=C2O1
Synonym	delta-tocopherol,unii-r0zb2556p8 component,unii-zl0rfa4e5n component,s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-2h-1-benzopyran-6-ol,2s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-1-benzopyran-6-ol,2h-1-benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-4r,8r-4,8,12-trimethyltridecyl-, 2r
InChI Key	GZIFEOYASATJEH-VHFRWLAGSA-N
Molecular Formula	C27H46O2

PubChem CID	980
CAS	100-02-7
Molecular Weight (g/mol)	139.11
ChEBI	CHEBI:16836
MDL Number	MFCD00007331
SMILES	OC1=CC=C(C=C1)[N+]([O-])=O
Synonym	p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo
IUPAC Name	4-nitrophenol
InChI Key	BTJIUGUIPKRLHP-UHFFFAOYSA-N
Molecular Formula	C6H5NO3

4-Hydroxyphenylacetic acid, 98%

CAS: 156-38-7 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004347 InChI Key: XQXPVVBIMDBYFF-UHFFFAOYSA-N Synonym: 4-hydroxyphenylacetic acid,2-4-hydroxyphenyl acetic acid,p-hydroxyphenylacetic acid,4-hydroxyphenyl acetic acid,4-hydroxyphenylacetate,4-hydroxybenzeneacetic acid,benzeneacetic acid, 4-hydroxy,p-hydroxyphenyl acetic acid,parahydroxy phenylacetic acid,4-carboxymethylphenol PubChem CID: 127 ChEBI: CHEBI:18101 IUPAC Name: 2-(4-hydroxyphenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)O

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PubChem CID	127
CAS	156-38-7
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:18101
MDL Number	MFCD00004347
SMILES	C1=CC(=CC=C1CC(=O)O)O
Synonym	4-hydroxyphenylacetic acid,2-4-hydroxyphenyl acetic acid,p-hydroxyphenylacetic acid,4-hydroxyphenyl acetic acid,4-hydroxyphenylacetate,4-hydroxybenzeneacetic acid,benzeneacetic acid, 4-hydroxy,p-hydroxyphenyl acetic acid,parahydroxy phenylacetic acid,4-carboxymethylphenol
IUPAC Name	2-(4-hydroxyphenyl)acetic acid
InChI Key	XQXPVVBIMDBYFF-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

4-Acetamidophenol, 98%

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PubChem CID	1983
CAS	103-90-2
Molecular Weight (g/mol)	151.17
ChEBI	CHEBI:46195
MDL Number	MFCD00002328
SMILES	CC(=O)NC1=CC=C(O)C=C1
Synonym	acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol
IUPAC Name	N-(4-hydroxyphenyl)acetamide
InChI Key	RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

4-n-Octylphenol, 99%

CAS: 1806-26-4 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00036134 InChI Key: NTDQQZYCCIDJRK-UHFFFAOYSA-N Synonym: 4-n-octylphenol,phenol, 4-octyl,p-octylphenol,phenol, p-octyl,1-p-hydroxyphenyl octane,para-octylphenol,unii-7df2b8lh3p,4-octyl-phenol,7df2b8lh3p,phenol, octenylated PubChem CID: 15730 ChEBI: CHEBI:34432 IUPAC Name: 4-octylphenol SMILES: CCCCCCCCC1=CC=C(O)C=C1

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PubChem CID	15730
CAS	1806-26-4
Molecular Weight (g/mol)	206.33
ChEBI	CHEBI:34432
MDL Number	MFCD00036134
SMILES	CCCCCCCCC1=CC=C(O)C=C1
Synonym	4-n-octylphenol,phenol, 4-octyl,p-octylphenol,phenol, p-octyl,1-p-hydroxyphenyl octane,para-octylphenol,unii-7df2b8lh3p,4-octyl-phenol,7df2b8lh3p,phenol, octenylated
IUPAC Name	4-octylphenol
InChI Key	NTDQQZYCCIDJRK-UHFFFAOYSA-N
Molecular Formula	C14H22O

4-Phenylphenol, 97%

CAS: 92-69-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00002347 InChI Key: YXVFYQXJAXKLAK-UHFFFAOYSA-N Synonym: 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol PubChem CID: 7103 ChEBI: CHEBI:34422 IUPAC Name: 4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O

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PubChem CID	7103
CAS	92-69-3
Molecular Weight (g/mol)	170.211
ChEBI	CHEBI:34422
MDL Number	MFCD00002347
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)O
Synonym	4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol
IUPAC Name	4-phenylphenol
InChI Key	YXVFYQXJAXKLAK-UHFFFAOYSA-N
Molecular Formula	C12H10O

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

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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

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

CAS: 134855-89-3 Molecular Formula: C8H12BrNO Molecular Weight (g/mol): 218.094 MDL Number: MFCD03844647 InChI Key: PZBBMKOZPQAHRA-RGMNGODLSA-N Synonym: s-4-1-amino-ethyl-phenol hydrobromid,s---1-4-hydroxyphenyl ethylamine hydrobromide PubChem CID: 49758827 IUPAC Name: 4-[(1S)-1-aminoethyl]phenol;hydrobromide SMILES: CC(C1=CC=C(C=C1)O)N.Br

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PubChem CID	49758827
CAS	134855-89-3
Molecular Weight (g/mol)	218.094
MDL Number	MFCD03844647
SMILES	CC(C1=CC=C(C=C1)O)N.Br
Synonym	s-4-1-amino-ethyl-phenol hydrobromid,s---1-4-hydroxyphenyl ethylamine hydrobromide
IUPAC Name	4-[(1S)-1-aminoethyl]phenol;hydrobromide
InChI Key	PZBBMKOZPQAHRA-RGMNGODLSA-N
Molecular Formula	C8H12BrNO

1-(4-Hydroxyphenyl)-5-mercaptotetrazole, 96%

CAS: 52431-78-4 Molecular Formula: C7H6N4OS Molecular Weight (g/mol): 194.212 MDL Number: MFCD00132898 InChI Key: MOXZSKYLLSPATM-UHFFFAOYSA-N Synonym: 1-4-hydroxyphenyl-5-mercaptotetrazole,1-4-hydroxyphenyl-1h-tetrazole-5-thiol,1-4-hydroxyphenyl-2h-tetrazole-5-thione,1-4-hydroxyphenyl-5-mercapto-1h-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-4-hydroxyphenyl,1-4-hydroxyphenyl-1h-tetrazole-5 4h-thione,4-5-sulfanyl-1h-1,2,3,4-tetrazol-1-yl phenol,1,2-dihydro-1-p-hydroxyphenyl-5h-tetrazole-5-thione,4-5-mercapto-1h-tetrazol-1-yl phenol,4-5-sulfanyl-1h-tetrazol-1-yl phenol PubChem CID: 3034725 IUPAC Name: 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione SMILES: C1=CC(=CC=C1N2C(=S)N=NN2)O

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Specifications

PubChem CID	3034725
CAS	52431-78-4
Molecular Weight (g/mol)	194.212
MDL Number	MFCD00132898
SMILES	C1=CC(=CC=C1N2C(=S)N=NN2)O
Synonym	1-4-hydroxyphenyl-5-mercaptotetrazole,1-4-hydroxyphenyl-1h-tetrazole-5-thiol,1-4-hydroxyphenyl-2h-tetrazole-5-thione,1-4-hydroxyphenyl-5-mercapto-1h-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-4-hydroxyphenyl,1-4-hydroxyphenyl-1h-tetrazole-5 4h-thione,4-5-sulfanyl-1h-1,2,3,4-tetrazol-1-yl phenol,1,2-dihydro-1-p-hydroxyphenyl-5h-tetrazole-5-thione,4-5-mercapto-1h-tetrazol-1-yl phenol,4-5-sulfanyl-1h-tetrazol-1-yl phenol
IUPAC Name	1-(4-hydroxyphenyl)-2H-tetrazole-5-thione
InChI Key	MOXZSKYLLSPATM-UHFFFAOYSA-N
Molecular Formula	C7H6N4OS

4-Hydroxyphthalic acid, 98%

CAS: 610-35-5 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD00013984 InChI Key: MWRVRCAFWBBXTL-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy PubChem CID: 11881 ChEBI: CHEBI:27600 IUPAC Name: 4-hydroxyphthalic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)C(=O)O

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PubChem CID	11881
CAS	610-35-5
Molecular Weight (g/mol)	182.131
ChEBI	CHEBI:27600
MDL Number	MFCD00013984
SMILES	C1=CC(=C(C=C1O)C(=O)O)C(=O)O
Synonym	1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy
IUPAC Name	4-hydroxyphthalic acid
InChI Key	MWRVRCAFWBBXTL-UHFFFAOYSA-N
Molecular Formula	C8H6O5

4-(4-Hydroxyphenyl)-2-butanone, 99+%

CAS: 5471-51-2 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 MDL Number: MFCD00002394 InChI Key: NJGBTKGETPDVIK-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone PubChem CID: 21648 ChEBI: CHEBI:68656 IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC=C(C=C1)O

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Specifications

PubChem CID	21648
CAS	5471-51-2
Molecular Weight (g/mol)	164.2
ChEBI	CHEBI:68656
MDL Number	MFCD00002394
SMILES	CC(=O)CCC1=CC=C(C=C1)O
Synonym	4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone
IUPAC Name	4-(4-hydroxyphenyl)butan-2-one
InChI Key	NJGBTKGETPDVIK-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₂

4-Ethylphenol, 97%

CAS: 123-07-9 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00002393 InChI Key: HXDOZKJGKXYMEW-UHFFFAOYSA-N Synonym: p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol PubChem CID: 31242 ChEBI: CHEBI:49584 IUPAC Name: 4-ethylphenol SMILES: CCC1=CC=C(C=C1)O

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Specifications

PubChem CID	31242
CAS	123-07-9
Molecular Weight (g/mol)	122.167
ChEBI	CHEBI:49584
MDL Number	MFCD00002393
SMILES	CCC1=CC=C(C=C1)O
Synonym	p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol
IUPAC Name	4-ethylphenol
InChI Key	HXDOZKJGKXYMEW-UHFFFAOYSA-N
Molecular Formula	C8H10O

1-hydroxy-2-unsubstituted benzenoids

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