7-methyl-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one

• ChemBase ID: 189438
• Molecular Formular: C26H24O6
• Molecular Mass: 432.46516
• Monoisotopic Mass: 432.15728849
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCc1cc(c(c(c1)OC)OC)OC)C)c1ccccc1
• Canonical SMILES: COc1cc(COc2cc(C)cc3c2c(cc(=O)o3)c2ccccc2)cc(c1OC)OC
• InChI: InChI=1S/C26H24O6/c1-16-10-20(31-15-17-12-22(28-2)26(30-4)23(13-17)29-3)25-19(18-8-6-5-7-9-18)14-24(27)32-21(25)11-16/h5-14H,15H2,1-4H3
• InChIKey: FIJLMMQZVMDZTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one
• IUPAC Traditional name: 7-methyl-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

Database IDs

• PubChem SID: 164245348
• PubChem CID: 1325595

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.8237677
• LogD (pH = 7.4): 4.8237677
• Log P: 4.8237677
• Molar Refractivity: 130.6079 cm^3
• Polarizability: 46.710346 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds