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

• ChemBase ID: 195138
• Molecular Formular: C27H22O4
• Molecular Mass: 410.46118
• Monoisotopic Mass: 410.15180918
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)occ1c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(C)c(Cc3ccccc3)c(=O)oc1c2C
• InChI: InChI=1S/C27H22O4/c1-16-21-14-23-24(19-10-7-11-20(13-19)29-3)15-30-25(23)17(2)26(21)31-27(28)22(16)12-18-8-5-4-6-9-18/h4-11,13-15H,12H2,1-3H3
• InChIKey: VKNSAKKMBZRJIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251048
• PubChem CID: 1798779

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: 48.66683 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