3-(4-methylphenyl)-5-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 190564
• Molecular Formular: C24H16O3
• Molecular Mass: 352.38204
• Monoisotopic Mass: 352.10994437
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1ccc(cc1)C)c2)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C24H16O3/c1-15-7-9-17(10-8-15)21-14-26-22-13-23-19(11-20(21)22)18(12-24(25)27-23)16-5-3-2-4-6-16/h2-14H,1H3
• InChIKey: VUALBTRBPBCKOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylphenyl)-5-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(4-methylphenyl)-5-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164246474
• PubChem CID: 1745585

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: 42.492477 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