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

• ChemBase ID: 186501
• Molecular Formular: C17H9FO3
• Molecular Mass: 280.2499632
• Monoisotopic Mass: 280.05357237
• SMILES: c1(c2c(oc1)cc1oc(=O)ccc1c2)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1coc2c1cc1ccc(=O)oc1c2
• InChI: InChI=1S/C17H9FO3/c18-12-4-1-10(2-5-12)14-9-20-16-8-15-11(7-13(14)16)3-6-17(19)21-15/h1-9H
• InChIKey: DYUPZSVDLPFZGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242411
• PubChem CID: 707749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7324104
• LogD (pH = 7.4): 3.7324104
• Log P: 3.7324104
• Molar Refractivity: 75.7423 cm^3
• Polarizability: 30.675343 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds