methyl 4-[({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)methyl]benzoate

• ChemBase ID: 191223
• Molecular Formular: C24H20O6
• Molecular Mass: 404.412
• Monoisotopic Mass: 404.12598836
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1ccc(C(=O)OC)cc1)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCc1ccc(cc1)C(=O)OC
• InChI: InChI=1S/C24H20O6/c1-14-21(29-13-15-4-6-16(7-5-15)23(25)28-3)11-10-19-18-9-8-17(27-2)12-20(18)24(26)30-22(14)19/h4-12H,13H2,1-3H3
• InChIKey: UIKKAADVURQMRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)methyl]benzoate
• IUPAC Traditional name: methyl 4-[({8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl}oxy)methyl]benzoate

Database IDs

• PubChem SID: 164247133
• PubChem CID: 2927078

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8513565
• LogD (pH = 7.4): 4.8513565
• Log P: 4.8513565
• Molar Refractivity: 111.5446 cm^3
• Polarizability: 43.91015 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds