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

• ChemBase ID: 191377
• Molecular Formular: C25H18O4
• Molecular Mass: 382.40802
• Monoisotopic Mass: 382.12050906
• SMILES: c12c(c(c3c(c(co3)c3cc(OC)ccc3)c2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(cc(=O)oc1c2C)c1ccccc1
• InChI: InChI=1S/C25H18O4/c1-15-24-21(22(14-28-24)17-9-6-10-18(11-17)27-2)12-20-19(13-23(26)29-25(15)20)16-7-4-3-5-8-16/h3-14H,1-2H3
• InChIKey: WZOGQUJSRHNGRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247287
• PubChem CID: 1769742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.378657
• LogD (pH = 7.4): 5.378657
• Log P: 5.378657
• Molar Refractivity: 120.583 cm^3
• Polarizability: 44.965374 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds