5,9-dimethyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 196114
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: c12c(c(cc(=O)o2)C)cc2c(c1C)occ2c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=c1cc(C)c2c(o1)c(C)c1c(c2)c(co1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C25H18O3/c1-15-12-23(26)28-25-16(2)24-21(13-20(15)25)22(14-27-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3
• InChIKey: XMSPGXQZYPRVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,9-dimethyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5,9-dimethyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164252024
• PubChem CID: 1800109

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: 45.78536 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