Molecule ID: 53468690

IUPAC Name: 5-(hydroxymethyl)-2-[(E)-6-methylhept-2-en-2-yl]phenol

Description: The molecule is a sesquiterpenoid that is phenol substituted by a hydroxymethyl group at position 5 and a (2E)-6-methylhept-2-en-2-yl group at position 2. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a sesquiterpenoid, a member of phenols and a member of benzyl alcohols.

SMILES: C/C(=C\CCC(C)C)c1ccc(CO)cc1O

SELFIES: [C][/C][=Branch1][=Branch2][=C][\C][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][O]

InChI: InChI=1S/C15H22O2/c1-11(2)5-4-6-12(3)14-8-7-13(10-16)9-15(14)17/h6-9,11,16-17H,4-5,10H2,1-3H3/b12-6+

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.1