Molecule ID: 53354910

IUPAC Name: 5-[(2S,3S)-5,6-dimethoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol

Description: The molecule is a member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by methoxy groups at positions 5 and 6, a methyl group at position 3 and a 3-hydroxy-4-methoxyphenyl group at position 2. It is isolated from Pterocarpus santalinus. It has a role as a plant metabolite. It is a member of 1-benzofurans, a member of phenols and an aromatic ether.

SMILES: COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@@H]2C)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C@@H1][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C18H20O5/c1-10-12-8-16(21-3)17(22-4)9-15(12)23-18(10)11-5-6-14(20-2)13(19)7-11/h5-10,18-19H,1-4H3/t10-,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 3.3