{3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol

• ChemBase ID: 76053
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: O(c1cc(ccc1)CO)c1nc(cnc1)C
• Canonical SMILES: OCc1cccc(c1)Oc1cncc(n1)C
• InChI: InChI=1S/C12H12N2O2/c1-9-6-13-7-12(14-9)16-11-4-2-3-10(5-11)8-15/h2-7,15H,8H2,1H3
• InChIKey: DWEAUGVLWACZHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol
• IUPAC Traditional name: {3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol
• Synonyms: {3-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol; {3-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol; 3-[(6-Methylpyrazin-2-yl)oxy]benzyl alcohol 97%

Database IDs

• CAS Number: 906352-98-5
• MDL Number: MFCD09817525
• PubChem SID: 162040971
• PubChem CID: 24229679

CALCULATED PROPERTIES

• Acid pKa: 14.895001
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.99666417
• LogD (pH = 7.4): 0.996666
• Log P: 0.9966661
• Molar Refractivity: 59.7059 cm^3
• Polarizability: 23.087883 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%