3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-9-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 192176
• Molecular Formular: C26H20O5
• Molecular Mass: 412.434
• Monoisotopic Mass: 412.13107374
• SMILES: c12c(c(c3c(c(co3)c3cc(OC)ccc3)c2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(coc1c2C)c1cccc(c1)OC
• InChI: InChI=1S/C26H20O5/c1-15-25-22(23(14-30-25)17-5-4-6-19(11-17)29-3)12-21-20(13-24(27)31-26(15)21)16-7-9-18(28-2)10-8-16/h4-14H,1-3H3
• InChIKey: VPBAFKLFTWXGLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-9-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-9-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164248086
• PubChem CID: 1776312

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.220986
• LogD (pH = 7.4): 5.220986
• Log P: 5.220986
• Molar Refractivity: 127.0462 cm^3
• Polarizability: 47.448498 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds