2-phenoxypyrimidin-5-ol

• ChemBase ID: 803638
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: c1(cnc(nc1)Oc1ccccc1)O
• Canonical SMILES: Oc1cnc(nc1)Oc1ccccc1
• InChI: InChI=1S/C10H8N2O2/c13-8-6-11-10(12-7-8)14-9-4-2-1-3-5-9/h1-7,13H
• InChIKey: ACUICKWZUCZXFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypyrimidin-5-ol
• IUPAC Traditional name: 2-phenoxypyrimidin-5-ol
• Synonyms: 2-PHENOXYPYRIMIDIN-5-OL

CALCULATED PROPERTIES

• Acid pKa: 8.291591
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9245559
• LogD (pH = 7.4): 1.873963
• Log P: 1.9252434
• Molar Refractivity: 50.89 cm^3
• Polarizability: 19.485899 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%