2-fluoro-4-methoxyphenol

• ChemBase ID: 100065
• Molecular Formular: C7H7FO2
• Molecular Mass: 142.1276832
• Monoisotopic Mass: 142.04300768
• SMILES: O(c1cc(c(cc1)O)F)C
• Canonical SMILES: COc1ccc(c(c1)F)O
• InChI: InChI=1S/C7H7FO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
• InChIKey: FCJHBXCQIOVMEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methoxyphenol
• IUPAC Traditional name: 2-fluoro-4-methoxyphenol
• Synonyms: 2-Fluoro-4-methoxyphenol

Database IDs

• CAS Number: 167683-93-4
• MDL Number: MFCD00070796
• PubChem SID: 162086332
• PubChem CID: 2774557

CALCULATED PROPERTIES

• Acid pKa: 8.8705015
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6545274
• LogD (pH = 7.4): 1.6403579
• Log P: 1.6547111
• Molar Refractivity: 34.7185 cm^3
• Polarizability: 13.174841 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%