9-methyl-3-(4-phenylphenyl)-5-propyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 195945
• Molecular Formular: C27H22O3
• Molecular Mass: 394.46178
• Monoisotopic Mass: 394.15689456
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)occ2c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(coc1c2C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H22O3/c1-3-7-21-14-25(28)30-27-17(2)26-23(15-22(21)27)24(16-29-26)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-16H,3,7H2,1-2H3
• InChIKey: CNTLOEOVZJJHNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-3-(4-phenylphenyl)-5-propyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 9-methyl-3-(4-phenylphenyl)-5-propylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164251855
• PubChem CID: 1799712

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: 49.47842 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