Molecule ID: 50993750

IUPAC Name: 3-[(3,4-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one

Description: The molecule is a butenolide that is furan-2(5H)-one substituted by a 3,4-dihydroxybenzyl group at position 4 and a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium species. It has a role as a Penicillium metabolite. It is a butenolide and a polyphenol.

SMILES: O=C1OCC(Cc2ccc(O)c(O)c2)=C1c1ccc(O)cc1

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

InChI: InChI=1S/C17H14O5/c18-13-4-2-11(3-5-13)16-12(9-22-17(16)21)7-10-1-6-14(19)15(20)8-10/h1-6,8,18-20H,7,9H2

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 2.3