3-(4-fluorophenoxy)phenol

• ChemBase ID: 246320
• Molecular Formular: C12H9FO2
• Molecular Mass: 204.1970632
• Monoisotopic Mass: 204.05865775
• SMILES: c1c(Oc2ccc(F)cc2)cccc1O
• Canonical SMILES: Fc1ccc(cc1)Oc1cccc(c1)O
• InChI: InChI=1S/C12H9FO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,14H
• InChIKey: KJRDLLHRSNOCLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxy)phenol
• IUPAC Traditional name: 3-(4-fluorophenoxy)phenol
• Synonyms: 3-(4-fluorophenoxy)phenol

Database IDs

• MDL Number: MFCD23144282
• PubChem SID: 164302230
• PubChem CID: 23227624

CALCULATED PROPERTIES

• Acid pKa: 9.098495
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3125608
• LogD (pH = 7.4): 3.3041139
• Log P: 3.3126695
• Molar Refractivity: 54.4961 cm^3
• Polarizability: 20.917435 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.716

Product Information

• Purity: 95%