Molecule ID: 10402297

IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol

Description: The molecule is a member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis. It has a role as a metabolite and a plant metabolite. It is a member of 1-benzofurans, a member of benzodioxoles and a primary alcohol. It derives from an egonol. It derives from a hydride of a 1-benzofuran.

SMILES: OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1

SELFIES: [O][C][C][C][C][=C][C][=C][O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C]

InChI: InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2

Molecular Properties:
- Polar Surface Area: 51.8 Ų
- LogP: 3.7