Molecule ID: 135458

IUPAC Name: benzo[a]anthracen-1-ol

Description: The molecule is a member of the class of tetraphenes that is tetraphene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a urinary hydroxylated metabolite of tetraphene (benzo[a]anthracene). It has a role as a human xenobiotic metabolite. It is a member of tetraphenes and a member of phenols. It derives from a hydride of a tetraphene.

SMILES: Oc1cccc2ccc3cc4ccccc4cc3c12

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

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

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.4