2′,6′-Dichloro-Biphenyl-2,6-Diol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.

Polychlorinated biphenyls

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 4.23 ALOGPS
logS -3.5 ALOGPS
Water Solubility 7.84e-02 g/l ALOGPS
logP 4.22 ChemAxon
IUPAC Name 3-(2,6-dichlorophenyl)benzene-1,2-diol ChemAxon
Traditional IUPAC Name 3-(2,6-dichlorophenyl)benzene-1,2-diol ChemAxon
Molecular Weight 255.097 ChemAxon
Monoisotopic Weight 253.990134914 ChemAxon
SMILES OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1Cl ChemAxon
Molecular Formula C12H8Cl2O2 ChemAxon
InChI InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H ChemAxon
InChIKey InChIKey=MCZUCSAAGDCHHN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 64.77 ChemAxon
Polarizability 23.64 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 8.92 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

  • Biphenyl-2,3-diol 1,2-dioxygenase : in Burkholderia xenovorans (strain LB400)