8-benzyl-2,4,9-trimethyl-3-phenyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 188427
• Molecular Formular: C27H22O3
• Molecular Mass: 394.46178
• Monoisotopic Mass: 394.15689456
• SMILES: c12c3c(c(c(=O)oc3cc(c1c(c(o2)C)c1ccccc1)C)Cc1ccccc1)C
• Canonical SMILES: Cc1cc2oc(=O)c(c(c2c2c1c(c1ccccc1)c(o2)C)C)Cc1ccccc1
• InChI: InChI=1S/C27H22O3/c1-16-14-22-24(17(2)21(27(28)30-22)15-19-10-6-4-7-11-19)26-23(16)25(18(3)29-26)20-12-8-5-9-13-20/h4-14H,15H2,1-3H3
• InChIKey: FSXKCXZCPXLJLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-2,4,9-trimethyl-3-phenyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 8-benzyl-2,4,9-trimethyl-3-phenylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164244337
• PubChem CID: 1781059

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.576009
• LogD (pH = 7.4): 6.576009
• Log P: 6.576009
• Molar Refractivity: 119.0519 cm^3
• Polarizability: 47.96097 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