4-methyl-3-(4-phenylphenyl)-9-propyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 197120
• Molecular Formular: C27H22O3
• Molecular Mass: 394.46178
• Monoisotopic Mass: 394.15689456
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1ccc(cc1)c1ccccc1)C)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1c1occ(c1c(c2)C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H22O3/c1-3-7-21-15-24(28)30-23-14-17(2)25-22(16-29-27(25)26(21)23)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-16H,3,7H2,1-2H3
• InChIKey: VJYQYGUELPYVPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(4-phenylphenyl)-9-propyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 4-methyl-3-(4-phenylphenyl)-9-propylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164253030
• PubChem CID: 1750426

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.938887
• LogD (pH = 7.4): 6.938887
• Log P: 6.938887
• Molar Refractivity: 119.1873 cm^3
• Polarizability: 49.47984 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds