6-ethyl-3-(4-fluorophenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 194091
• Molecular Formular: C20H15FO3
• Molecular Mass: 322.3297032
• Monoisotopic Mass: 322.10052256
• SMILES: c1(c2c(oc(=O)c1CC)cc1c(c(co1)c1ccc(cc1)F)c2)C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F
• InChI: InChI=1S/C20H15FO3/c1-3-14-11(2)15-8-16-17(12-4-6-13(21)7-5-12)10-23-18(16)9-19(15)24-20(14)22/h4-10H,3H2,1-2H3
• InChIKey: QNHCCJPWWUKIGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-3-(4-fluorophenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-ethyl-3-(4-fluorophenyl)-5-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250001
• PubChem CID: 906704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.871924
• LogD (pH = 7.4): 4.871924
• Log P: 4.871924
• Molar Refractivity: 88.9824 cm^3
• Polarizability: 36.208237 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