Molecule ID: 47782

IUPAC Name: chrysen-2-ol

Description: The molecule is a hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite and a xenoestrogen.

SMILES: Oc1ccc2c(ccc3c4ccccc4ccc23)c1

SELFIES: [O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][C]

InChI: InChI=1S/C18H12O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11,19H

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.2