8-methoxy-4-methyl-3-[(3,4,5-trimethoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one

• ChemBase ID: 188867
• Molecular Formular: C25H24O7
• Molecular Mass: 436.45386
• Monoisotopic Mass: 436.15220311
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C25H24O7/c1-14-20(31-13-15-10-21(28-3)24(30-5)22(11-15)29-4)9-8-18-17-7-6-16(27-2)12-19(17)25(26)32-23(14)18/h6-12H,13H2,1-5H3
• InChIKey: IPNDHBZONHLCAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-4-methyl-3-[(3,4,5-trimethoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 8-methoxy-4-methyl-3-[(3,4,5-trimethoxyphenyl)methoxy]benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164244777
• PubChem CID: 2919777

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.3748655
• LogD (pH = 7.4): 4.3748655
• Log P: 4.3748655
• Molar Refractivity: 118.9089 cm^3
• Polarizability: 47.04891 Å^3
• Polar Surface Area: 72.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds