4,9-dimethyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 196770
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1ccc(cc1)c1ccccc1)C)C
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c1c2occ1c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C25H18O3/c1-15-12-21-24(16(2)13-22(26)28-21)25-23(15)20(14-27-25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3
• InChIKey: RUVQWYHRXHJPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,9-dimethyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 4,9-dimethyl-3-(4-phenylphenyl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164252680
• PubChem CID: 1749560

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: 109.9853 cm^3
• Polarizability: 45.786774 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