Molecule ID: 50993749

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

Description: The molecule is a butenolide that is furan-2(5H)-one substituted by a 4-hydroxybenzyl 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 polyphenol and a butenolide.

SMILES: O=C1OCC(Cc2ccc(O)cc2)=C1c1ccc(O)cc1

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][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C17H14O4/c18-14-5-1-11(2-6-14)9-13-10-21-17(20)16(13)12-3-7-15(19)8-4-12/h1-8,18-19H,9-10H2

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 2.6