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

• ChemBase ID: 188820
• Molecular Formular: C26H24O6
• Molecular Mass: 432.46516
• Monoisotopic Mass: 432.15728849
• SMILES: c12c(c(cc(=O)o1)c1ccccc1)ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(COc2ccc3c(c2C)oc(=O)cc3c2ccccc2)cc(c1OC)OC
• InChI: InChI=1S/C26H24O6/c1-16-21(31-15-17-12-22(28-2)26(30-4)23(13-17)29-3)11-10-19-20(14-24(27)32-25(16)19)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3
• InChIKey: YBBXHYGSKLVYFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-4-phenyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one
• IUPAC Traditional name: 8-methyl-4-phenyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

Database IDs

• PubChem SID: 164244730
• PubChem CID: 1789044

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: 46.71059 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