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

• ChemBase ID: 190309
• Molecular Formular: C23H18O6
• Molecular Mass: 390.38542
• Monoisotopic Mass: 390.1103383
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1ccc(C(=O)OC)cc1)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCc1ccc(cc1)C(=O)OC
• InChI: InChI=1S/C23H18O6/c1-26-16-7-9-18-19-10-8-17(12-21(19)29-23(25)20(18)11-16)28-13-14-3-5-15(6-4-14)22(24)27-2/h3-12H,13H2,1-2H3
• InChIKey: WXULETIITIAMME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246219
• PubChem CID: 1188206

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.337935
• LogD (pH = 7.4): 4.337935
• Log P: 4.337935
• Molar Refractivity: 106.5034 cm^3
• Polarizability: 42.143852 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