Molecule ID: 10563682

IUPAC Name: 3-benzyl-2-hydroxy-4-phenyl-2H-furan-5-one

Description: The molecule is a butenolide that is furan-2(5H)-one which is substituted by a phenyl group at position 3, a benzyl group at position 4, and a hydroxy group at position 5 (the (-)-enantiomer). A secondary metabolite obtained from Aspergillus nidulans. It has a role as an Aspergillus metabolite. It is a butenolide and a cyclic acetal.

SMILES: O=C1OC(O)C(Cc2ccccc2)=C1c1ccccc1

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

InChI: InChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)15(17(19)20-16)13-9-5-2-6-10-13/h1-10,16,18H,11H2

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.8