2-[(3-fluorophenyl)methoxy]phenol

• ChemBase ID: 276949
• Molecular Formular: C13H11FO2
• Molecular Mass: 218.2236432
• Monoisotopic Mass: 218.07430781
• SMILES: O(c1c(O)cccc1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)COc1ccccc1O
• InChI: InChI=1S/C13H11FO2/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8,15H,9H2
• InChIKey: HIADFSWLGOJWJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-fluorophenyl)methoxy]phenol
• IUPAC Traditional name: 2-[(3-fluorophenyl)methoxy]phenol
• Synonyms: 2-[(3-fluorophenyl)methoxy]phenol

Database IDs

• MDL Number: MFCD11181835
• PubChem SID: 164332859
• PubChem CID: 43143462

CALCULATED PROPERTIES

• Acid pKa: 9.943411
• 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: 22.696068 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.235

Product Information

• Purity: 95%