4-(4-fluorophenyl)phenol

• ChemBase ID: 287412
• Molecular Formular: C12H9FO
• Molecular Mass: 188.1976632
• Monoisotopic Mass: 188.06374313
• SMILES: Oc1ccc(c2ccc(F)cc2)cc1
• Canonical SMILES: Oc1ccc(cc1)c1ccc(cc1)F
• InChI: InChI=1S/C12H9FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
• InChIKey: QSJNKJGPJVOGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)phenol
• IUPAC Traditional name: 4-(4-fluorophenyl)phenol
• Synonyms: 4'-Fluoro-[1,1'-biphenyl]-4-ol

Database IDs

• CAS Number: 324-94-7
• MDL Number: MFCD01830385
• PubChem SID: 180672943
• PubChem CID: 345420

CALCULATED PROPERTIES

• Acid pKa: 9.912587
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4595912
• LogD (pH = 7.4): 3.4582834
• Log P: 3.4596078
• Molar Refractivity: 53.3915 cm^3
• Polarizability: 21.536663 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%