4-methyl-3,9-diphenyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 187221
• Molecular Formular: C24H16O3
• Molecular Mass: 352.38204
• Monoisotopic Mass: 352.10994437
• SMILES: c12c(cc(=O)oc2cc(c2c1occ2c1ccccc1)C)c1ccccc1
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1)c1ccccc1)occ3c1ccccc1
• InChI: InChI=1S/C24H16O3/c1-15-12-20-23(18(13-21(25)27-20)16-8-4-2-5-9-16)24-22(15)19(14-26-24)17-10-6-3-7-11-17/h2-14H,1H3
• InChIKey: MPXSAEAEQLULQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3,9-diphenyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 4-methyl-3,9-diphenylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164243131
• PubChem CID: 1586126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5363283
• LogD (pH = 7.4): 5.5363283
• Log P: 5.5363283
• Molar Refractivity: 114.1198 cm^3
• Polarizability: 42.495434 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