(4-fluoro-3-phenoxyphenyl)methanol

• ChemBase ID: 94452
• Molecular Formular: C13H11FO2
• Molecular Mass: 218.2236432
• Monoisotopic Mass: 218.07430781
• SMILES: O(c1cc(ccc1F)CO)c1ccccc1
• Canonical SMILES: OCc1ccc(c(c1)Oc1ccccc1)F
• InChI: InChI=1S/C13H11FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-8,15H,9H2
• InChIKey: UFXDRIJUGWOQTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-3-phenoxyphenyl)methanol
• IUPAC Traditional name: (4-fluoro-3-phenoxyphenyl)methanol
• Synonyms: 3-(Phenoxy)-4-fluorobenzyl alcohol

Database IDs

• MDL Number: MFCD06202979
• PubChem SID: 162081106
• PubChem CID: 12874224

CALCULATED PROPERTIES

• Acid pKa: 14.863443
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.848885
• LogD (pH = 7.4): 2.848885
• Log P: 2.848885
• Molar Refractivity: 59.3311 cm^3
• Polarizability: 22.76383 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true