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

• ChemBase ID: 188100
• Molecular Formular: C24H16O3
• Molecular Mass: 352.38204
• Monoisotopic Mass: 352.10994437
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)C)c2)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=c1cc(C)c2c(o1)cc1c(c2)c(co1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H16O3/c1-15-11-24(25)27-23-13-22-20(12-19(15)23)21(14-26-22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3
• InChIKey: OWGYTXKYJAOUCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244010
• PubChem CID: 1774140

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: 104.9441 cm^3
• Polarizability: 44.021553 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