Phenols

Aromatic organic compounds that consist of a phenyl functional group (−C6H5) bonded to a hydroxyl functional group (−OH). Includes compounds with more substitutions and derivatives.

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p-Nitrophenol (Yellow Crystals or Powder/Peptide Synthesis), Fisher BioReagents

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-Butylphenol 96.0+%, TCI America™

CAS: 1638-22-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00041750 InChI Key: CYYZDBDROVLTJU-UHFFFAOYSA-N Synonym: 4-n-butylphenol,p-butylphenol,phenol, 4-butyl,p-hydroxybutylbenzene,phenol, p-butyl,1-hydroxy-4-n-butylbenzene,p-n-butylphenol,4-butyl-phenol,4-n-ethylphenol PubChem CID: 15420 ChEBI: CHEBI:34437 IUPAC Name: 4-butylphenol SMILES: CCCCC1=CC=C(C=C1)O

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PubChem CID	15420
CAS	1638-22-8
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:34437
MDL Number	MFCD00041750
SMILES	CCCCC1=CC=C(C=C1)O
Synonym	4-n-butylphenol,p-butylphenol,phenol, 4-butyl,p-hydroxybutylbenzene,phenol, p-butyl,1-hydroxy-4-n-butylbenzene,p-n-butylphenol,4-butyl-phenol,4-n-ethylphenol
IUPAC Name	4-butylphenol
InChI Key	CYYZDBDROVLTJU-UHFFFAOYSA-N
Molecular Formula	C10H14O

3-Hydroxy-2-methylbenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 603-80-5 Molecular Formula: C8H7O3 Molecular Weight (g/mol): 151.14 MDL Number: MFCD00671541 InChI Key: RIERSGULWXEJKL-UHFFFAOYSA-M Synonym: 3-hydroxy-o-toluic acid,3-hydroxy-2-methyl benzoic acid,3-hydroxy-2-methyl-benzoic acid,2-methyl-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2-methyl,kresolsaure,3,2-cresotic acid,pubchem15694,3-carboxy-2-methylphenol,acmc-1b1jy PubChem CID: 252023 IUPAC Name: 3-hydroxy-2-methylbenzoic acid SMILES: CC1=C(O)C=CC=C1C([O-])=O

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Specifications

PubChem CID	252023
CAS	603-80-5
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00671541
SMILES	CC1=C(O)C=CC=C1C([O-])=O
Synonym	3-hydroxy-o-toluic acid,3-hydroxy-2-methyl benzoic acid,3-hydroxy-2-methyl-benzoic acid,2-methyl-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-2-methyl,kresolsaure,3,2-cresotic acid,pubchem15694,3-carboxy-2-methylphenol,acmc-1b1jy
IUPAC Name	3-hydroxy-2-methylbenzoic acid
InChI Key	RIERSGULWXEJKL-UHFFFAOYSA-M
Molecular Formula	C8H7O3

Orcinol Monohydrate (Laboratory), Fisher Chemical

CAS: 6153-39-5 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00149092 InChI Key: NBKPNAMTHBIMLA-UHFFFAOYSA-N Synonym: 5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate PubChem CID: 3083941 IUPAC Name: 5-methylbenzene-1,3-diol;hydrate SMILES: CC1=CC(=CC(=C1)O)O.O

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PubChem CID	3083941
CAS	6153-39-5
Molecular Weight (g/mol)	142.154
MDL Number	MFCD00149092
SMILES	CC1=CC(=CC(=C1)O)O.O
Synonym	5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate
IUPAC Name	5-methylbenzene-1,3-diol;hydrate
InChI Key	NBKPNAMTHBIMLA-UHFFFAOYSA-N
Molecular Formula	C7H10O3

4′-Hydroxyacetanilide 98.0+%, TCI America™

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

p-Cresol (Laboratory), Fisher Chemical

CAS: 106-44-5 Molecular Formula: C₇H₈O MDL Number: MFCD00002376 Synonym: 4-Methyl Phenol,Cresylic Acid

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CAS	106-44-5
MDL Number	MFCD00002376
Synonym	4-Methyl Phenol,Cresylic Acid
Molecular Formula	C₇H₈O

2,6-Dichlorophenol, 99%, Thermo Scientific Chemicals

CAS: 87-65-0 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002176 InChI Key: HOLHYSJJBXSLMV-UHFFFAOYSA-N Synonym: phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp PubChem CID: 6899 ChEBI: CHEBI:28457 IUPAC Name: 2,6-dichlorophenol SMILES: OC1=C(Cl)C=CC=C1Cl

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PubChem CID	6899
CAS	87-65-0
Molecular Weight (g/mol)	163.00
ChEBI	CHEBI:28457
MDL Number	MFCD00002176
SMILES	OC1=C(Cl)C=CC=C1Cl
Synonym	phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp
IUPAC Name	2,6-dichlorophenol
InChI Key	HOLHYSJJBXSLMV-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2O

4-(4-Hydroxyphenyl)-2-butanone, 98%, Thermo Scientific Chemicals

CAS: 5471-51-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 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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PubChem CID	21648
CAS	5471-51-2
Molecular Weight (g/mol)	164.204
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

Pentafluorophenol, 99%, Thermo Scientific Chemicals

CAS: 771-61-9 Molecular Formula: C6HF5O Molecular Weight (g/mol): 184.07 MDL Number: MFCD00002156 InChI Key: XBNGYFFABRKICK-UHFFFAOYSA-N Synonym: pentafluorophenol,phenol, pentafluoro,perfluorophenol,unii-a2ycf0yuha,a2ycf0yuha,2,3,4,5,6-pentafluorohydroxybenzene,c6f5oh,2,3,4,5,6-pentafluoro-phenol,phenol, 2,3,4,5,6-pentafluoro,hopfp PubChem CID: 13041 IUPAC Name: 2,3,4,5,6-pentafluorophenol SMILES: OC1=C(F)C(F)=C(F)C(F)=C1F

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Specifications

PubChem CID	13041
CAS	771-61-9
Molecular Weight (g/mol)	184.07
MDL Number	MFCD00002156
SMILES	OC1=C(F)C(F)=C(F)C(F)=C1F
Synonym	pentafluorophenol,phenol, pentafluoro,perfluorophenol,unii-a2ycf0yuha,a2ycf0yuha,2,3,4,5,6-pentafluorohydroxybenzene,c6f5oh,2,3,4,5,6-pentafluoro-phenol,phenol, 2,3,4,5,6-pentafluoro,hopfp
IUPAC Name	2,3,4,5,6-pentafluorophenol
InChI Key	XBNGYFFABRKICK-UHFFFAOYSA-N
Molecular Formula	C6HF5O

3,5-Dihydroxytoluene, 99%, Thermo Scientific Chemicals

CAS: 504-15-4 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002291 InChI Key: OIPPWFOQEKKFEE-UHFFFAOYSA-N Synonym: orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl PubChem CID: 10436 ChEBI: CHEBI:16536 IUPAC Name: 5-methylbenzene-1,3-diol SMILES: CC1=CC(O)=CC(O)=C1

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Specifications

PubChem CID	10436
CAS	504-15-4
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:16536
MDL Number	MFCD00002291
SMILES	CC1=CC(O)=CC(O)=C1
Synonym	orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl
IUPAC Name	5-methylbenzene-1,3-diol
InChI Key	OIPPWFOQEKKFEE-UHFFFAOYSA-N
Molecular Formula	C7H8O2

2-Hydroxybenzeneboronic acid, 97%, Thermo Scientific Chemicals

CAS: 89466-08-0 Molecular Formula: C6H7BO3 Molecular Weight (g/mol): 137.93 MDL Number: MFCD01074581 InChI Key: YDMRDHQUQIVWBE-UHFFFAOYSA-N Synonym: 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d PubChem CID: 2773454 IUPAC Name: (2-hydroxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1O

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Specifications

PubChem CID	2773454
CAS	89466-08-0
Molecular Weight (g/mol)	137.93
MDL Number	MFCD01074581
SMILES	OB(O)C1=CC=CC=C1O
Synonym	2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d
IUPAC Name	(2-hydroxyphenyl)boronic acid
InChI Key	YDMRDHQUQIVWBE-UHFFFAOYSA-N
Molecular Formula	C6H7BO3

Methyl caffeate, Thermo Scientific Chemicals

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

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Specifications

PubChem CID	689075
CAS	3843-74-1
Molecular Weight (g/mol)	194.186
ChEBI	CHEBI:6856
MDL Number	MFCD00210468
SMILES	COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym	methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name	methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key	OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula	C10H10O4

4'-Hydroxydiclofenac, Thermo Scientific Chemicals

CAS: 64118-84-9 Molecular Formula: C14H11Cl2NO3 Molecular Weight (g/mol): 312.146 MDL Number: MFCD01671980 InChI Key: KGVXVPRLBMWZLG-UHFFFAOYSA-N Synonym: 4'-hydroxydiclofenac,4'-hydroxy diclofenac,o-2,6-dichloro-4-hydroxyanilino phenyl acetic acid,unii-njf5o599ef,4'-oh dcf,2-2,6-dichloro-4-hydroxyphenyl amino phenyl acetic acid,4′-ohd,njf5o599ef,diclofenac, 4′-hydroxy,benzeneacetic acid, 2-2,6-dichloro-4-hydroxyphenyl amino PubChem CID: 116545 ChEBI: CHEBI:59613 IUPAC Name: 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl

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Specifications

PubChem CID	116545
CAS	64118-84-9
Molecular Weight (g/mol)	312.146
ChEBI	CHEBI:59613
MDL Number	MFCD01671980
SMILES	C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
Synonym	4'-hydroxydiclofenac,4'-hydroxy diclofenac,o-2,6-dichloro-4-hydroxyanilino phenyl acetic acid,unii-njf5o599ef,4'-oh dcf,2-2,6-dichloro-4-hydroxyphenyl amino phenyl acetic acid,4′-ohd,njf5o599ef,diclofenac, 4′-hydroxy,benzeneacetic acid, 2-2,6-dichloro-4-hydroxyphenyl amino
IUPAC Name	2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid
InChI Key	KGVXVPRLBMWZLG-UHFFFAOYSA-N
Molecular Formula	C14H11Cl2NO3

4-(7-Chloro-4-quinolinylamino)-2-(diethylaminomethyl)phenol dihydrochloride dihydrate, 98%, Thermo Scientific Chemicals

CAS: 6398-98-7 Molecular Formula: C20H28Cl3N3O3 Molecular Weight (g/mol): 464.812 MDL Number: MFCD00078857 InChI Key: YVNAYSHNIILOJS-UHFFFAOYSA-N Synonym: amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1 PubChem CID: 64646 ChEBI: CHEBI:50652 IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl

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Specifications

PubChem CID	64646
CAS	6398-98-7
Molecular Weight (g/mol)	464.812
ChEBI	CHEBI:50652
MDL Number	MFCD00078857
SMILES	CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl
Synonym	amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1
IUPAC Name	4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride
InChI Key	YVNAYSHNIILOJS-UHFFFAOYSA-N
Molecular Formula	C20H28Cl3N3O3

2,4-Dichloro-6-methylphenol, 98%, Thermo Scientific Chemicals

CAS: 1570-65-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00019988 InChI Key: WJQZZLQMLJPKQH-UHFFFAOYSA-N Synonym: 4,6-dichloro-o-cresol,4,6-dichloro-2-methylphenol,phenol, 2,4-dichloro-6-methyl,o-cresol, 4,6-dichloro,4,6-dichlorocresol,phenol,2,4-dichloro-6-methyl,dichlorocresol,o-cresol,6-dichloro,4,6-dichlor-o-kresol,acmc-1c0mk PubChem CID: 15292 IUPAC Name: 2,4-dichloro-6-methylphenol SMILES: CC1=CC(=CC(=C1O)Cl)Cl

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Specifications

PubChem CID	15292
CAS	1570-65-6
Molecular Weight (g/mol)	177.024
MDL Number	MFCD00019988
SMILES	CC1=CC(=CC(=C1O)Cl)Cl
Synonym	4,6-dichloro-o-cresol,4,6-dichloro-2-methylphenol,phenol, 2,4-dichloro-6-methyl,o-cresol, 4,6-dichloro,4,6-dichlorocresol,phenol,2,4-dichloro-6-methyl,dichlorocresol,o-cresol,6-dichloro,4,6-dichlor-o-kresol,acmc-1c0mk
IUPAC Name	2,4-dichloro-6-methylphenol
InChI Key	WJQZZLQMLJPKQH-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2O

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