6-benzyl-5-methyl-3-(4-methylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 190488
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccc(cc1)C)c2)C)Cc1ccccc1
• Canonical SMILES: Cc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C26H20O3/c1-16-8-10-19(11-9-16)23-15-28-24-14-25-20(13-22(23)24)17(2)21(26(27)29-25)12-18-6-4-3-5-7-18/h3-11,13-15H,12H2,1-2H3
• InChIKey: AWLFMYMGOUBSPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-5-methyl-3-(4-methylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-benzyl-5-methyl-3-(4-methylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164246398
• PubChem CID: 1745452

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.3764477
• LogD (pH = 7.4): 6.3764477
• Log P: 6.3764477
• Molar Refractivity: 113.9022 cm^3
• Polarizability: 46.19463 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds