4-[4-(benzyloxy)phenyl]-2-fluorophenol

• ChemBase ID: 291180
• Molecular Formular: C19H15FO2
• Molecular Mass: 294.3196032
• Monoisotopic Mass: 294.10560794
• SMILES: Oc1ccc(c2ccc(OCc3ccccc3)cc2)cc1F
• Canonical SMILES: Oc1ccc(cc1F)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C19H15FO2/c20-18-12-16(8-11-19(18)21)15-6-9-17(10-7-15)22-13-14-4-2-1-3-5-14/h1-12,21H,13H2
• InChIKey: GKMJSHZSALBUMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(benzyloxy)phenyl]-2-fluorophenol
• IUPAC Traditional name: 4-[4-(benzyloxy)phenyl]-2-fluorophenol
• Synonyms: 4'-(Benzyloxy)-3-fluoro-[1,1'-biphenyl]-4-ol

Database IDs

• CAS Number: 147803-47-2
• MDL Number: MFCD18314077
• PubChem SID: 180676711
• PubChem CID: 53219754

CALCULATED PROPERTIES

• Acid pKa: 8.41323
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.0258837
• LogD (pH = 7.4): 4.986519
• Log P: 5.0264096
• Molar Refractivity: 84.4673 cm^3
• Polarizability: 33.65118 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%