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

• ChemBase ID: 188128
• Molecular Formular: C26H20O5
• Molecular Mass: 412.434
• Monoisotopic Mass: 412.13107374
• SMILES: c12c(c(c3c(c(co3)c3ccc(cc3)OC)c2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(c2C)oc(=O)cc1c1ccc(cc1)OC
• InChI: InChI=1S/C26H20O5/c1-15-25-22(23(14-30-25)17-6-10-19(29-3)11-7-17)12-21-20(13-24(27)31-26(15)21)16-4-8-18(28-2)9-5-16/h4-14H,1-3H3
• InChIKey: MXSNQLWOPGMJKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244038
• PubChem CID: 1774162

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: 47.445267 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