Molecule ID: 439528

IUPAC Name: 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione

Description: The molecule is a beta-diketone that is acetylacetone in which a 4-hydroxyphenyl group and a 2,4-dihydroxyphenyl group replace the two methyl groups. It is a beta-diketone, a member of resorcinols, a member of dihydrochalcones and an aromatic ketone. It is a conjugate acid of a licodione(1-).

SMILES: O=C(CC(=O)c1ccc(O)cc1O)c1ccc(O)cc1

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

InChI: InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 2.5