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

• ChemBase ID: 310755
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c1(nc(cc(n1)C)OCC)c1c(O)cccc1
• Canonical SMILES: CCOc1cc(C)nc(n1)c1ccccc1O
• InChI: InChI=1S/C13H14N2O2/c1-3-17-12-8-9(2)14-13(15-12)10-6-4-5-7-11(10)16/h4-8,16H,3H2,1-2H3
• InChIKey: QVZQYJUIBVNIAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 300358-33-2
• MDL Number: MFCD00297970

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0898802
• LogD (pH = 7.4): 2.7392607
• Log P: 3.0994146
• Molar Refractivity: 76.2311 cm^3
• Polarizability: 25.546183 Å^3
• Polar Surface Area: 55.24 Å^2