Molecule ID: 14018770

IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl acetate

Description: The molecule is an acetate ester of egonol 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, an acetate ester, a member of benzodioxoles and an aromatic ether. It derives from an egonol. It derives from a hydride of a 1-benzofuran.

SMILES: COc1cc(CCCOC(C)=O)cc2cc(-c3ccc4c(c3)OCO4)oc12

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

InChI: InChI=1S/C21H20O6/c1-13(22)24-7-3-4-14-8-16-11-18(27-21(16)20(9-14)23-2)15-5-6-17-19(10-15)26-12-25-17/h5-6,8-11H,3-4,7,12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 67.1 Ų
- LogP: 4.3