2,4-dimethyl-3-phenyl-9-propyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 195563
• Molecular Formular: C22H20O3
• Molecular Mass: 332.3924
• Monoisotopic Mass: 332.1412445
• SMILES: c12c(c(c(o1)C)c1ccccc1)c(cc1c2c(cc(=O)o1)CCC)C
• Canonical SMILES: CCCc1cc(=O)oc2c1c1oc(c(c1c(c2)C)c1ccccc1)C
• InChI: InChI=1S/C22H20O3/c1-4-8-16-12-18(23)25-17-11-13(2)19-20(15-9-6-5-7-10-15)14(3)24-22(19)21(16)17/h5-7,9-12H,4,8H2,1-3H3
• InChIKey: XGZSTYFAJYMLJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-3-phenyl-9-propyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 2,4-dimethyl-3-phenyl-9-propylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164251473
• PubChem CID: 1798920

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.491223
• LogD (pH = 7.4): 5.491223
• Log P: 5.491223
• Molar Refractivity: 99.2008 cm^3
• Polarizability: 40.1666 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