Molecule ID: 441090

IUPAC Name: (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol

Description: The molecule is a cyclohexenediol that has cis hydroxy groups at C-1 and C-2, double bonds at C-3 and C-5, and a 4-chlorophenyl substituent at C-3, the configurations at C-1 and C-2 being S and R respectively. It is a cyclohexadienediol and an organochlorine compound. It derives from a (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol and a 4'-chlorobiphenyl-2,3-diol.

SMILES: O[C@@H]1C(c2ccc(Cl)cc2)=CC=C[C@@H]1O

SELFIES: [O][C@@H1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][C@@H1][Ring1][=N][O]

InChI: InChI=1S/C12H11ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,11-12,14-15H/t11-,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.8