(2-phenylpyrimidin-4-yl)methanol

• ChemBase ID: 236790
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(nc(ccn1)CO)c1ccccc1
• Canonical SMILES: OCc1ccnc(n1)c1ccccc1
• InChI: InChI=1S/C11H10N2O/c14-8-10-6-7-12-11(13-10)9-4-2-1-3-5-9/h1-7,14H,8H2
• InChIKey: AOCGPYPSAHFBSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylpyrimidin-4-yl)methanol
• IUPAC Traditional name: (2-phenylpyrimidin-4-yl)methanol
• Synonyms: (2-phenylpyrimidin-4-yl)methanol

Database IDs

• MDL Number: MFCD16866629
• PubChem SID: 164292700
• PubChem CID: 21709156

CALCULATED PROPERTIES

• Acid pKa: 14.091812
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7962947
• LogD (pH = 7.4): 1.7963406
• Log P: 1.7963412
• Molar Refractivity: 64.4271 cm^3
• Polarizability: 21.280094 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43 - 45°C
• Hydrophobicity(logP): 0.748

Product Information

• Purity: 95%