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

• ChemBase ID: 190091
• Molecular Formular: C27H22O4
• Molecular Mass: 410.46118
• Monoisotopic Mass: 410.15180918
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)occ1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C27H22O4/c1-16-21-14-23-24(19-9-11-20(29-3)12-10-19)15-30-25(23)17(2)26(21)31-27(28)22(16)13-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3
• InChIKey: RZCXPQYSNGNJFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-3-(4-methoxyphenyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-benzyl-3-(4-methoxyphenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164246001
• PubChem CID: 3808961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.218776
• LogD (pH = 7.4): 6.218776
• Log P: 6.218776
• Molar Refractivity: 120.3654 cm^3
• Polarizability: 48.663555 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds