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

• ChemBase ID: 186734
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1ccccc1)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c1occ(c1c(c2)C)c1ccccc1
• InChI: InChI=1S/C20H16O3/c1-3-13-10-17(21)23-16-9-12(2)18-15(11-22-20(18)19(13)16)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3
• InChIKey: FGXGOOOKCYTXTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242644
• PubChem CID: 707846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.847093
• LogD (pH = 7.4): 4.847093
• Log P: 4.847093
• Molar Refractivity: 89.4501 cm^3
• Polarizability: 36.556107 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds