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

• ChemBase ID: 188664
• Molecular Formular: C26H24O7
• Molecular Mass: 448.46456
• Monoisotopic Mass: 448.15220311
• SMILES: c1(c2c(oc(=O)c1)cc(OCc1cc(c(c(c1)OC)OC)OC)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C26H24O7/c1-28-18-7-5-17(6-8-18)21-14-25(27)33-22-13-19(9-10-20(21)22)32-15-16-11-23(29-2)26(31-4)24(12-16)30-3/h5-14H,15H2,1-4H3
• InChIKey: SWWXNAIQGWZDJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244574
• PubChem CID: 1781352

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.152675
• LogD (pH = 7.4): 4.152675
• Log P: 4.152675
• Molar Refractivity: 132.0299 cm^3
• Polarizability: 47.468697 Å^3
• Polar Surface Area: 72.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds