(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene

Status : experimental

Description

(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Known drug targets of (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene include naphthalene 1,2-dioxygenase subunit beta and naphthalene 1,2-dioxygenase subunit alpha.

Chemical Classification

This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Naphthalenes

Organic compounds

Benzenoids

Naphthalenes

Calculated Property

kind Value Source
logP 0.63 ALOGPS
logS -0.86 ALOGPS
Water Solubility 2.25e+01 g/l ALOGPS
logP 1 ChemAxon
IUPAC Name (1R,2S)-1,2-dihydronaphthalene-1,2-diol ChemAxon
Traditional IUPAC Name (1R,2S)-1,2-dihydronaphthalene-1,2-diol ChemAxon
Molecular Weight 162.1852 ChemAxon
Monoisotopic Weight 162.068079564 ChemAxon
SMILES [H][C@]1(O)C=CC2=C(C=CC=C2)[C@@]1([H])O ChemAxon
Molecular Formula C10H10O2 ChemAxon
InChI InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1 ChemAxon
InChIKey InChIKey=QPUHWUSUBHNZCG-VHSXEESVSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 47.38 ChemAxon
Polarizability 16.89 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 13.2 ChemAxon
pKa (strongest basic) -3.4 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

  • Naphthalene 1,2-dioxygenase subunit alpha : in Pseudomonas putida
  • Naphthalene 1,2-dioxygenase subunit beta : in Pseudomonas putida