CAS 90-43-7|[1,1'-biphenyl]-2-ol|2-Phenylphenol|o-phenylphenol|2-phenylphenol|2-Hydroxybiphenyl|o-Phenylphenol|o-HYDROXYBIPHENYL|<i>o</i>-xenol|2-hydroxybiphenyl|<i>o</i>-phenylphenol|orthoxenol|bip...

General Information

Structure

Molecular Formula

C₁₂H₁₀O

Molecular Mass

170.2072

Exact Mass

170.07316494

Charge

InChI

InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

InChIKey

LLEMOWNGBBNAJR-UHFFFAOYSA-N

Canonic Smiles

Oc1ccccc1c1ccccc1

Isomeric Smiles

Oc1c(cccc1)c1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

3.31

LogD (pH = 5.5)

3.32

Log P

3.32

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.69

Polar Surface Area

20.23

Polarizability

18.75

Molar Refractivity

53.18

LOG S

-3.41

Data Source

Names and Identifiers

Synonyms

[1,1'-biphenyl]-2-ol2-Phenylphenol2-Hydroxybiphenylo-Phenylphenolo-HYDROXYBIPHENYLo-xenol2-hydroxybiphenylo-phenylphenolorthoxenolbiphenylolorthophenyl phenol2-Phenylphenol2-Biphenylol2-HYDROXYDIPHENYL2-苯基苯酚2-羟基联苯Biphenyl-2-ol2-Phenylphenolo-HYDROXYBIPHENYL2-HYDROXYDIPHENYLo-phenylphenolOrthophenyl phenol2-Biphenylol2-Phenylphenolbiphenyl-2-olo-hydroxybiphenylbiphenyl-2-olo-diphenylolo-hydroxydiphenyl2-Hydroxybiphenyl

IUPAC Traditional name

o-phenylphenol

IUPAC name

2-phenylphenol [1,1'-biphenyl]-2-ol

Names and Identifiers

Registration numbers

EC Number

201-993-5

CAS Number

90-43-7

Beilstein Number

606907

PubChem SID

24899228249019532489836524878943248690501620762768144705

MDL Number

FEMA ID

PubChem CID

E Number

CHEBI ID

17043CHEBI:1146CHEBI:19629CHEBI:17043CHEBI:11591

Unique Ingredient Identifier

KEGG ID

Merck Index

Chemspider ID

ATC CODE

Wikipedia Title

2-PhenylphenolBiphenyl-2-ol

CHEMBL

108829CHEMBL108829

BRENDA Database

1.14.13.441.14.12.222.4.1.2181.14.13.252.8.2.13.13.1.32.3.2.233.13.1.12.8.2.15

CompTox Database

DTXSID2021151

UniProt Database

P54995Q64435Q28611P54997

EnzymePortal Database

P54997

MetaboLights Database

MTBLS1267MTBLS583MTBLS682MTBLS3627MTBLS2279

HMDB Database

HMDB0032582

ACToR Database

192076-92-990-43-761788-42-9

Patent number

EP1964543EP1982689WO2008112280US2007249727US2007202051US2007203126

Protein Data Bank

5brt

PubMed Citation Links

24525378236659312315678114753781

Drug Central Database

4,768

IntEnz Database

EC 1.14.13.44EC 3.13.1.3

BKMS React Database

57806108741

PPDB Database

1,340

BRENDA Ligand Database

BindingDB Database

Rhea Database

SureChEMBL Database

KEGG DRUG Database

UM-BBD compID

Reaxys Registry

NMRShiftDB Database

Registration numbers

Properties

Related Proteins

PDB Bank

5BRT

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02195226

Crystalline
Inhibitor of deoxyribonuclease.

05203624

MP Biomedicals Rare Chemical collection

Wikipedia

2-Phenylphenol

Sigma Aldrich

W395900

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

P28263

Packaging
2 kg in poly bottle
500 g in poly bottle

54890

Other Notes
Reagent for the fluorometric determination of trioses1

45529

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

ChEBI

CHEBI:17043

A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.

Molecule Details

References

PubChem Literature

From Data Sources

• Biochem. Biophys. Acta , 288 : 365, (1971).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

o-phenylphenol

IUPAC name

2-phenylphenol [1,1'-biphenyl]-2-ol

Registration numbers

EC Number

201-993-5

CAS Number

90-43-7

Beilstein Number

606907

PubChem SID

24899228249019532489836524878943248690501620762768144705

MDL Number

FEMA ID

PubChem CID

E Number

CHEBI ID

17043CHEBI:1146CHEBI:19629CHEBI:17043CHEBI:11591

Unique Ingredient Identifier

KEGG ID

Merck Index

Chemspider ID

ATC CODE

Wikipedia Title

2-PhenylphenolBiphenyl-2-ol

CHEMBL

108829CHEMBL108829

BRENDA Database

1.14.13.441.14.12.222.4.1.2181.14.13.252.8.2.13.13.1.32.3.2.233.13.1.12.8.2.15

CompTox Database

DTXSID2021151

UniProt Database

P54995Q64435Q28611P54997

EnzymePortal Database

P54997

MetaboLights Database

MTBLS1267MTBLS583MTBLS682MTBLS3627MTBLS2279

HMDB Database

HMDB0032582

ACToR Database

192076-92-990-43-761788-42-9

Patent number

EP1964543EP1982689WO2008112280US2007249727US2007202051US2007203126

Protein Data Bank

5brt

PubMed Citation Links

24525378236659312315678114753781

Drug Central Database

4,768

IntEnz Database

EC 1.14.13.44EC 3.13.1.3

BKMS React Database

57806108741

PPDB Database

1,340

BRENDA Ligand Database

BindingDB Database

Rhea Database

SureChEMBL Database

KEGG DRUG Database

UM-BBD compID

Reaxys Registry

NMRShiftDB Database

Related Proteins

Molecule Details

Crystalline
Inhibitor of deoxyribonuclease.

05203624

MP Biomedicals Rare Chemical collection

Wikipedia

2-Phenylphenol

Sigma Aldrich

W395900

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

P28263

Packaging
2 kg in poly bottle
500 g in poly bottle

54890

Other Notes
Reagent for the fluorometric determination of trioses1

45529

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

ChEBI

CHEBI:17043

A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.

References

PubChem Literature

From Data Sources

• Biochem. Biophys. Acta , 288 : 365, (1971).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:89396