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

• ChemBase ID: 190285
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: c12c(c(c3c(c(co3)c3ccc(cc3)C)c2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)c1coc2c1cc1c(cc(=O)oc1c2C)c1ccccc1
• InChI: InChI=1S/C25H18O3/c1-15-8-10-18(11-9-15)22-14-27-24-16(2)25-20(12-21(22)24)19(13-23(26)28-25)17-6-4-3-5-7-17/h3-14H,1-2H3
• InChIKey: VHURKTSMQBEEPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-3-(4-methylphenyl)-5-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 9-methyl-3-(4-methylphenyl)-5-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164246195
• PubChem CID: 3774563

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.04975
• LogD (pH = 7.4): 6.04975
• Log P: 6.04975
• Molar Refractivity: 119.161 cm^3
• Polarizability: 44.25832 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