2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187026
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(c2C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)c(c(o1)C)c1ccccc1
• InChI: InChI=1S/C25H18O3/c1-15-24-20(19(14-22(26)28-24)17-9-5-3-6-10-17)13-21-23(16(2)27-25(15)21)18-11-7-4-8-12-18/h3-14H,1-2H3
• InChIKey: UHXWYPMYTODTMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2,9-dimethyl-3,5-diphenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242936
• PubChem CID: 2917116

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7358894
• LogD (pH = 7.4): 5.7358894
• Log P: 5.7358894
• Molar Refractivity: 119.2695 cm^3
• Polarizability: 44.25752 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