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

• ChemBase ID: 194971
• Molecular Formular: C26H20O4
• Molecular Mass: 396.4346
• Monoisotopic Mass: 396.13615912
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1cc(OC)ccc1)c2)C)Cc1ccccc1
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(c2)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C26H20O4/c1-16-20-13-22-23(18-9-6-10-19(12-18)28-2)15-29-24(22)14-25(20)30-26(27)21(16)11-17-7-4-3-5-8-17/h3-10,12-15H,11H2,1-2H3
• InChIKey: IKFLIKCPNMEXAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250881
• PubChem CID: 1798534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7053547
• LogD (pH = 7.4): 5.7053547
• Log P: 5.7053547
• Molar Refractivity: 115.3242 cm^3
• Polarizability: 46.900303 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