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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.
1 4-dihydroxy-2-halobenzenoids (3)
1-hydroxy-2-unsubstituted benzenoids (1)
1-hydroxy-4-unsubstituted benzenoids (14)
4-alkoxyphenols (9)
Aminophenols (3)
Benzenediols (9)
Cresols (16)
Halophenols (40)

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3-Phenylphenol, 90%

CAS: 580-51-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002294 InChI Key: UBXYXCRCOKCZIT-UHFFFAOYSA-N Synonym: 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o PubChem CID: 11381 ChEBI: CHEBI:34338 IUPAC Name: 3-phenylphenol SMILES: OC1=CC=CC(=C1)C1=CC=CC=C1

EDGE
PubChem CID 11381
CAS 580-51-8
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:34338
MDL Number MFCD00002294
SMILES OC1=CC=CC(=C1)C1=CC=CC=C1
Synonym 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o
IUPAC Name 3-phenylphenol
InChI Key UBXYXCRCOKCZIT-UHFFFAOYSA-N
Molecular Formula C12H10O
2

3-Aminophenol, 99%

CAS: 591-27-5 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00007786 InChI Key: CWLKGDAVCFYWJK-UHFFFAOYSA-N Synonym: m-aminophenol,m-hydroxyaniline,3-hydroxyaniline,phenol, 3-amino,1-amino-3-hydroxybenzene,3-amino-1-hydroxybenzene,fouramine eg,futramine eg,fourrine eg,pelagol eg PubChem CID: 11568 ChEBI: CHEBI:28924 IUPAC Name: 3-aminophenol SMILES: NC1=CC=CC(O)=C1

PubChem CID 11568
CAS 591-27-5
Molecular Weight (g/mol) 109.13
ChEBI CHEBI:28924
MDL Number MFCD00007786
SMILES NC1=CC=CC(O)=C1
Synonym m-aminophenol,m-hydroxyaniline,3-hydroxyaniline,phenol, 3-amino,1-amino-3-hydroxybenzene,3-amino-1-hydroxybenzene,fouramine eg,futramine eg,fourrine eg,pelagol eg
IUPAC Name 3-aminophenol
InChI Key CWLKGDAVCFYWJK-UHFFFAOYSA-N
Molecular Formula C6H7NO
3
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2-Methoxy-4-methylphenol, 99%

CAS: 93-51-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002378 InChI Key: PETRWTHZSKVLRE-UHFFFAOYSA-N Synonym: creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene PubChem CID: 7144 IUPAC Name: 2-methoxy-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)OC

PubChem CID 7144
CAS 93-51-6
Molecular Weight (g/mol) 138.17
MDL Number MFCD00002378
SMILES CC1=CC(=C(C=C1)O)OC
Synonym creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene
IUPAC Name 2-methoxy-4-methylphenol
InChI Key PETRWTHZSKVLRE-UHFFFAOYSA-N
Molecular Formula C8H10O2
4

4-Methylcatechol, 98%

CAS: 452-86-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002205 InChI Key: ZBCATMYQYDCTIZ-UHFFFAOYSA-N Synonym: 4-methylcatechol,3,4-dihydroxytoluene,homocatechol,4-methyl-1,2-benzenediol,p-methylcatechol,4-methylpyrocatechol,homopyrocatechol,1,2-dihydroxy-4-methylbenzene,p-methylpyrocatechol,toluene-3,4-diol PubChem CID: 9958 ChEBI: CHEBI:17254 IUPAC Name: 4-methylbenzene-1,2-diol SMILES: CC1=CC=C(O)C(O)=C1

PubChem CID 9958
CAS 452-86-8
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:17254
MDL Number MFCD00002205
SMILES CC1=CC=C(O)C(O)=C1
Synonym 4-methylcatechol,3,4-dihydroxytoluene,homocatechol,4-methyl-1,2-benzenediol,p-methylcatechol,4-methylpyrocatechol,homopyrocatechol,1,2-dihydroxy-4-methylbenzene,p-methylpyrocatechol,toluene-3,4-diol
IUPAC Name 4-methylbenzene-1,2-diol
InChI Key ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Molecular Formula C7H8O2
5
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3,5-Dichlorophenol, 99%

CAS: 591-35-5 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163 MDL Number: MFCD00002259 InChI Key: VPOMSPZBQMDLTM-UHFFFAOYSA-N Synonym: phenol, 3,5-dichloro,3,5-dichloro-phenol,unii-fg32l88ko9,3,5 dichlorophenol,ccris 5905,3,5-dichloro phenol,pubchem3699,acmc-209mar,dsstox_cid_5006,dsstox_rid_77624 PubChem CID: 11571 IUPAC Name: 3,5-dichlorophenol SMILES: C1=C(C=C(C=C1Cl)Cl)O

PubChem CID 11571
CAS 591-35-5
Molecular Weight (g/mol) 163
MDL Number MFCD00002259
SMILES C1=C(C=C(C=C1Cl)Cl)O
Synonym phenol, 3,5-dichloro,3,5-dichloro-phenol,unii-fg32l88ko9,3,5 dichlorophenol,ccris 5905,3,5-dichloro phenol,pubchem3699,acmc-209mar,dsstox_cid_5006,dsstox_rid_77624
IUPAC Name 3,5-dichlorophenol
InChI Key VPOMSPZBQMDLTM-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
6

5-Methyl-2-nitrophenol, 97%

CAS: 700-38-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007111 InChI Key: NQXUSSVLFOBRSE-UHFFFAOYSA-N Synonym: 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso PubChem CID: 12788 IUPAC Name: 5-methyl-2-nitrophenol SMILES: CC1=CC=C(C(O)=C1)[N+]([O-])=O

PubChem CID 12788
CAS 700-38-9
Molecular Weight (g/mol) 153.14
MDL Number MFCD00007111
SMILES CC1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso
IUPAC Name 5-methyl-2-nitrophenol
InChI Key NQXUSSVLFOBRSE-UHFFFAOYSA-N
Molecular Formula C7H7NO3
7
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Orcinol, 98%

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

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
9
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2,6-Dimethoxyphenol, 99%

CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O

PubChem CID 7041
CAS 91-10-1
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:955
MDL Number MFCD00064434
SMILES COC1=CC=CC(OC)=C1O
Synonym syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol
IUPAC Name 2,6-dimethoxyphenol
InChI Key KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula C8H10O3
10

3,4,5-Trimethoxyphenol, 98.5+%

CAS: 642-71-7 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.19 MDL Number: MFCD00008389 InChI Key: VTCDZPUMZAZMSB-UHFFFAOYSA-N Synonym: antiarol,phenol, 3,4,5-trimethoxy,3,4,5-trimethoxy phenol,spectrum_000525,specplus_000623,spectrum3_001208,spectrum4_001487,spectrum5_000193,3,4,5-trirnethoxyphenol,3,4,5-trimethoxy-phenol PubChem CID: 69505 ChEBI: CHEBI:2760 IUPAC Name: 3,4,5-trimethoxyphenol SMILES: COC1=CC(=CC(=C1OC)OC)O

PubChem CID 69505
CAS 642-71-7
Molecular Weight (g/mol) 184.19
ChEBI CHEBI:2760
MDL Number MFCD00008389
SMILES COC1=CC(=CC(=C1OC)OC)O
Synonym antiarol,phenol, 3,4,5-trimethoxy,3,4,5-trimethoxy phenol,spectrum_000525,specplus_000623,spectrum3_001208,spectrum4_001487,spectrum5_000193,3,4,5-trirnethoxyphenol,3,4,5-trimethoxy-phenol
IUPAC Name 3,4,5-trimethoxyphenol
InChI Key VTCDZPUMZAZMSB-UHFFFAOYSA-N
Molecular Formula C9H12O4
11

3-Amino-o-cresol, 95%, Thermo Scientific™

CAS: 53222-92-7 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007787 InChI Key: FLROJJGKUKLCAE-UHFFFAOYSA-N Synonym: 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol PubChem CID: 104448 IUPAC Name: 3-amino-2-methylphenol SMILES: CC1=C(C=CC=C1O)N

PubChem CID 104448
CAS 53222-92-7
Molecular Weight (g/mol) 123.15
MDL Number MFCD00007787
SMILES CC1=C(C=CC=C1O)N
Synonym 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol
IUPAC Name 3-amino-2-methylphenol
InChI Key FLROJJGKUKLCAE-UHFFFAOYSA-N
Molecular Formula C7H9NO
12

3-Bromophenol, 98%

CAS: 591-20-8 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.01 MDL Number: MFCD00002253 InChI Key: MNOJRWOWILAHAV-UHFFFAOYSA-N Synonym: m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol PubChem CID: 11563 IUPAC Name: 3-bromophenol SMILES: OC1=CC=CC(Br)=C1

PubChem CID 11563
CAS 591-20-8
Molecular Weight (g/mol) 173.01
MDL Number MFCD00002253
SMILES OC1=CC=CC(Br)=C1
Synonym m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol
IUPAC Name 3-bromophenol
InChI Key MNOJRWOWILAHAV-UHFFFAOYSA-N
Molecular Formula C6H5BrO
13

3,5-Dimethoxyphenol, 97%

CAS: 500-99-2 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00008388 InChI Key: XQDNFAMOIPNVES-UHFFFAOYSA-N Synonym: taxicatigenin,phenol, 3,5-dimethoxy,phloroglucinol dimethyl ether,1-hydroxy-3,5-dimethoxybenzene,3,5-dimethoxy phenol,unii-23uxw8136a,phenol,5-dimethoxy,3,5-dimethoxy-phenol,pubchem16421,acmc-209kk2 PubChem CID: 10383 IUPAC Name: 3,5-dimethoxyphenol SMILES: COC1=CC(OC)=CC(O)=C1

PubChem CID 10383
CAS 500-99-2
Molecular Weight (g/mol) 154.17
MDL Number MFCD00008388
SMILES COC1=CC(OC)=CC(O)=C1
Synonym taxicatigenin,phenol, 3,5-dimethoxy,phloroglucinol dimethyl ether,1-hydroxy-3,5-dimethoxybenzene,3,5-dimethoxy phenol,unii-23uxw8136a,phenol,5-dimethoxy,3,5-dimethoxy-phenol,pubchem16421,acmc-209kk2
IUPAC Name 3,5-dimethoxyphenol
InChI Key XQDNFAMOIPNVES-UHFFFAOYSA-N
Molecular Formula C8H10O3
14

3-Iodophenol, 99%

CAS: 626-02-8 Molecular Formula: C6H5IO Molecular Weight (g/mol): 220 MDL Number: MFCD00002261 InChI Key: FXTKWBZFNQHAAO-UHFFFAOYSA-N Synonym: m-iodophenol,phenol, 3-iodo,m-hydroxyiodobenzene,3-jodphenol,phenol, m-iodo,3-jodphenol german,m-jodphenol,3-iodo-phenol,5-iodophenol,pubchem3968 PubChem CID: 12272 ChEBI: CHEBI:33439 IUPAC Name: 3-iodophenol SMILES: C1=CC(=CC(=C1)I)O

PubChem CID 12272
CAS 626-02-8
Molecular Weight (g/mol) 220
ChEBI CHEBI:33439
MDL Number MFCD00002261
SMILES C1=CC(=CC(=C1)I)O
Synonym m-iodophenol,phenol, 3-iodo,m-hydroxyiodobenzene,3-jodphenol,phenol, m-iodo,3-jodphenol german,m-jodphenol,3-iodo-phenol,5-iodophenol,pubchem3968
IUPAC Name 3-iodophenol
InChI Key FXTKWBZFNQHAAO-UHFFFAOYSA-N
Molecular Formula C6H5IO
15

2-Chloro-5-fluorophenol, 98%, Thermo Scientific™

CAS: 3827-49-4 Molecular Formula: C6H4ClFO Molecular Weight (g/mol): 146.55 MDL Number: MFCD00042524 InChI Key: CMQOZIKIOASEIN-UHFFFAOYSA-N Synonym: 2-chloro-5-fluoro-phenol,pubchem2146,2-chloro-5-fluorphenol,acmc-209iz2,ksc226k0t,attercop-chm at137231 PubChem CID: 2724522 IUPAC Name: 2-chloro-5-fluorophenol SMILES: OC1=CC(F)=CC=C1Cl

PubChem CID 2724522
CAS 3827-49-4
Molecular Weight (g/mol) 146.55
MDL Number MFCD00042524
SMILES OC1=CC(F)=CC=C1Cl
Synonym 2-chloro-5-fluoro-phenol,pubchem2146,2-chloro-5-fluorphenol,acmc-209iz2,ksc226k0t,attercop-chm at137231
IUPAC Name 2-chloro-5-fluorophenol
InChI Key CMQOZIKIOASEIN-UHFFFAOYSA-N
Molecular Formula C6H4ClFO