2-methyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186459
• Molecular Formular: C24H16O3
• Molecular Mass: 352.38204
• Monoisotopic Mass: 352.10994437
• SMILES: c12c(c(oc1cc1c(c(cc(=O)o1)c1ccccc1)c2)C)c1ccccc1
• Canonical SMILES: O=c1oc2cc3oc(c(c3cc2c(c1)c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C24H16O3/c1-15-24(17-10-6-3-7-11-17)20-12-19-18(16-8-4-2-5-9-16)13-23(25)27-21(19)14-22(20)26-15/h2-14H,1H3
• InChIKey: ZMIIZHRLBSGLCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2-methyl-3,5-diphenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242369
• PubChem CID: 1801570

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2224684
• LogD (pH = 7.4): 5.2224684
• Log P: 5.2224684
• Molar Refractivity: 114.2283 cm^3
• Polarizability: 42.491688 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds