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

• ChemBase ID: 188854
• Molecular Formular: C24H22O7
• Molecular Mass: 422.42728
• Monoisotopic Mass: 422.13655304
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1cc(c(c(c1)OC)OC)OC)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C24H22O7/c1-26-15-5-7-17-18-8-6-16(12-20(18)31-24(25)19(17)11-15)30-13-14-9-21(27-2)23(29-4)22(10-14)28-3/h5-12H,13H2,1-4H3
• InChIKey: NOBPLVDOGGPWPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244764
• PubChem CID: 1789060

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.8614442
• LogD (pH = 7.4): 3.8614442
• Log P: 3.8614442
• Molar Refractivity: 113.8677 cm^3
• Polarizability: 45.283375 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