2-[(4-fluorophenyl)methoxy]phenol

• ChemBase ID: 277013
• Molecular Formular: C13H11FO2
• Molecular Mass: 218.2236432
• Monoisotopic Mass: 218.07430781
• SMILES: O(c1c(O)cccc1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)COc1ccccc1O
• InChI: InChI=1S/C13H11FO2/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,15H,9H2
• InChIKey: BRHZGGYVHPPROK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)methoxy]phenol
• IUPAC Traditional name: 2-[(4-fluorophenyl)methoxy]phenol
• Synonyms: 2-[(4-fluorophenyl)methoxy]phenol

Database IDs

• MDL Number: MFCD11181832
• PubChem SID: 164332923
• PubChem CID: 43143460

CALCULATED PROPERTIES

• Acid pKa: 9.943417
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3791687
• LogD (pH = 7.4): 3.3779514
• Log P: 3.3791842
• Molar Refractivity: 59.3311 cm^3
• Polarizability: 22.696087 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 3.235

Product Information

• Purity: 95%