1,1′-BIPHENYL-3,4-DIOL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 2.51 ALOGPS
logS -2.6 ALOGPS
Water Solubility 4.26e-01 g/l ALOGPS
logP 3.01 ChemAxon
IUPAC Name 4-phenylbenzene-1,2-diol ChemAxon
Traditional IUPAC Name 1,1′-biphenyl-3,4-diol ChemAxon
Molecular Weight 186.2066 ChemAxon
Monoisotopic Weight 186.068079564 ChemAxon
SMILES OC1=C(O)C=C(C=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C12H10O2 ChemAxon
InChI InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H ChemAxon
InChIKey InChIKey=QDNPCYCBQFHNJC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 55.16 ChemAxon
Polarizability 19.89 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.19 ChemAxon
pKa (strongest basic) -6.3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 1,2-dihydroxynaphthalene dioxygenase : in Pseudomonas sp. (strain C18)