(4-fluorophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 97042
• Molecular Formular: C14H11FO2
• Molecular Mass: 230.2343432
• Monoisotopic Mass: 230.07430781
• SMILES: O=C(c1ccc(cc1)F)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccc(cc1)F
• InChI: InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
• InChIKey: VWGWRNBIAWTWIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (4-fluorophenyl)(4-methoxyphenyl)methanone
• Synonyms: (4-fluorophenyl)(4-methoxyphenyl)methanone; 4-Fluoro-4'-methoxybenzophenone 98%

Database IDs

• CAS Number: 345-89-1
• MDL Number: MFCD00055469
• PubChem SID: 162083669
• PubChem CID: 67664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4176295
• LogD (pH = 7.4): 3.4176295
• Log P: 3.4176295
• Molar Refractivity: 63.3131 cm^3
• Polarizability: 24.143595 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-92°C; 94 - 96°C
• Hydrophobicity(logP): 3.589

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 97%