2-(4-methoxy-6-methylpyrimidin-2-yl)phenol

• ChemBase ID: 310659
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c1(nc(cc(n1)C)OC)c1c(O)cccc1
• Canonical SMILES: COc1cc(C)nc(n1)c1ccccc1O
• InChI: InChI=1S/C12H12N2O2/c1-8-7-11(16-2)14-12(13-8)9-5-3-4-6-10(9)15/h3-7,15H,1-2H3
• InChIKey: DFKRMBRGENZQIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxy-6-methylpyrimidin-2-yl)phenol
• IUPAC Traditional name: 2-(4-methoxy-6-methylpyrimidin-2-yl)phenol
• Synonyms: 2-(4-methoxy-6-methyl-2-pyrimidinyl)phenol

Database IDs

• CAS Number: 331852-93-8
• MDL Number: MFCD00561263

CALCULATED PROPERTIES

• Log P: 2.7496307
• Molar Refractivity: 71.4825 cm^3
• Polarizability: 23.703705 Å^3
• Polar Surface Area: 55.24 Å^2
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7399476
• LogD (pH = 7.4): 2.389537