2-fluoro-4-(hydroxymethyl)phenol

• ChemBase ID: 276724
• Molecular Formular: C7H7FO2
• Molecular Mass: 142.1276832
• Monoisotopic Mass: 142.04300768
• SMILES: c1(c(ccc(c1)CO)O)F
• Canonical SMILES: OCc1ccc(c(c1)F)O
• InChI: InChI=1S/C7H7FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4H2
• InChIKey: WDJLSXGVBBNQNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-(hydroxymethyl)phenol
• IUPAC Traditional name: 2-fluoro-4-(hydroxymethyl)phenol
• Synonyms: 2-fluoro-4-(hydroxymethyl)phenol

Database IDs

• MDL Number: MFCD06202638
• PubChem SID: 164332634
• PubChem CID: 11240544

CALCULATED PROPERTIES

• Molar Refractivity: 35.0712 cm^3
• Polarizability: 13.117375 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.385819
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0444723
• LogD (pH = 7.4): 1.0026691
• Log P: 1.0450326

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 0.677

Product Information

• Purity: 95%