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

• ChemBase ID: 196882
• Molecular Formular: C21H18O3
• Molecular Mass: 318.36582
• Monoisotopic Mass: 318.12559444
• SMILES: c12c(c(c(o1)C)c1ccccc1)c(cc1c2c(cc(=O)o1)CC)C
• Canonical SMILES: CCc1cc(=O)oc2c1c1oc(c(c1c(c2)C)c1ccccc1)C
• InChI: InChI=1S/C21H18O3/c1-4-14-11-17(22)24-16-10-12(2)18-19(15-8-6-5-7-9-15)13(3)23-21(18)20(14)16/h5-11H,4H2,1-3H3
• InChIKey: WZEVWAJVLJBEDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252792
• PubChem CID: 907413

CALCULATED PROPERTIES

• Log P: 5.046654
• Molar Refractivity: 94.5998 cm^3
• Polarizability: 38.31963 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.046654
• LogD (pH = 7.4): 5.046654

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds