[3-(pyrimidin-2-yloxy)phenyl]methanol

• ChemBase ID: 40123
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(ncccn1)Oc1cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)Oc1ncccn1
• InChI: InChI=1S/C11H10N2O2/c14-8-9-3-1-4-10(7-9)15-11-12-5-2-6-13-11/h1-7,14H,8H2
• InChIKey: CHGNNFYTJABKLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(pyrimidin-2-yloxy)phenyl]methanol
• IUPAC Traditional name: [3-(pyrimidin-2-yloxy)phenyl]methanol
• Synonyms: [3-(2-Pyrimidinyloxy)phenyl]methanol

Database IDs

• CAS Number: 82440-25-3
• MDL Number: MFCD03791155
• PubChem SID: 162044886
• PubChem CID: 2763397

CALCULATED PROPERTIES

• Acid pKa: 14.884054
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4614576
• LogD (pH = 7.4): 1.4614589
• Log P: 1.4614589
• Molar Refractivity: 55.725 cm^3
• Polarizability: 21.32979 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 150 °C; 147-150°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%