Molecule ID: 50993751

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

Description: The molecule is a butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 4-hydroxybenzyl group at position 4. 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)cc2)=C1c1cc(O)cc(O)c1

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

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

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