Molecule ID: 12310493

IUPAC Name: 4-[(1E,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

Description: The molecule is a 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1E,3S configuration. A natural product found in Chamaecyparis obtusa. It has a role as a metabolite. It is a norlignan and a 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene.

SMILES: C=C[C@@H](/C=C/c1ccc(O)cc1)c1ccc(O)cc1

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

InChI: InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3+/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.4