4-fluoro-2,5-dimethoxyphenol

• ChemBase ID: 180211
• Molecular Formular: C8H9FO3
• Molecular Mass: 172.1536632
• Monoisotopic Mass: 172.05357237
• SMILES: c1c(c(cc(c1OC)O)OC)F
• Canonical SMILES: COc1cc(F)c(cc1O)OC
• InChI: InChI=1S/C8H9FO3/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4,10H,1-2H3
• InChIKey: KUAAIBDYIXSSSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2,5-dimethoxyphenol
• IUPAC Traditional name: 4-fluoro-2,5-dimethoxyphenol
• Synonyms: 4-fluoro-2,5-dimethoxyphenol

Database IDs

• PubChem SID: 164236121
• PubChem CID: 56972243

CALCULATED PROPERTIES

• Acid pKa: 9.642728
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4970088
• LogD (pH = 7.4): 1.4945806
• Log P: 1.4970399
• Molar Refractivity: 41.1817 cm^3
• Polarizability: 15.7350855 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true