4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 194949
• Molecular Formular: C26H22O8
• Molecular Mass: 462.44808
• Monoisotopic Mass: 462.13146766
• SMILES: c1(c2c(oc(=O)c1)cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OC(=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C26H22O8/c1-29-17-7-5-15(6-8-17)20-14-24(27)34-21-13-18(9-10-19(20)21)33-26(28)16-11-22(30-2)25(32-4)23(12-16)31-3/h5-14H,1-4H3
• InChIKey: YJJMOFPYFLEQPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: 4-(4-methoxyphenyl)-2-oxochromen-7-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164250859
• PubChem CID: 1798502

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.2473087
• LogD (pH = 7.4): 4.2473087
• Log P: 4.2473087
• Molar Refractivity: 132.757 cm^3
• Polarizability: 47.534847 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds