Molecule ID: 15730

IUPAC Name: 4-octylphenol

Description: The molecule is a member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. It has a role as a surfactant, a xenoestrogen and a metabolite.

SMILES: CCCCCCCCc1ccc(O)cc1

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

InChI: InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.3