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

• ChemBase ID: 186395
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)Cc1ccccc1
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1Cc1ccccc1)C)C
• InChI: InChI=1S/C20H16O3/c1-12-11-22-18-10-19-16(9-15(12)18)13(2)17(20(21)23-19)8-14-6-4-3-5-7-14/h3-7,9-11H,8H2,1-2H3
• InChIKey: RJHGLHPWHGEVRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242305
• PubChem CID: 848801

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7292223
• LogD (pH = 7.4): 4.7292223
• Log P: 4.7292223
• Molar Refractivity: 88.766 cm^3
• Polarizability: 35.141422 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds