4-(4-fluorophenyl)-2H-chromen-2-one

• ChemBase ID: 798779
• Molecular Formular: C15H9FO2
• Molecular Mass: 240.2291632
• Monoisotopic Mass: 240.05865775
• SMILES: c1ccc2oc(=O)cc(c2c1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1cc(=O)oc2c1cccc2
• InChI: InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)13-9-15(17)18-14-4-2-1-3-12(13)14/h1-9H
• InChIKey: NFKYIOIDHSJIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-2H-chromen-2-one
• IUPAC Traditional name: 4-(4-fluorophenyl)chromen-2-one
• Synonyms: 4-(4-fluorophenyl)-2H-chromen-2-one

Database IDs

• CAS Number: 120346-46-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.35926
• LogD (pH = 7.4): 3.35926
• Log P: 3.35926
• Molar Refractivity: 75.3177 cm^3
• Polarizability: 24.933521 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%