2-phenylquinazolin-4-ol

• ChemBase ID: 294324
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: Oc1c2ccccc2nc(c2ccccc2)n1
• Canonical SMILES: Oc1nc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
• InChIKey: VDULOAUXSMYUMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylquinazolin-4-ol
• IUPAC Traditional name: 2-phenylquinazolin-4-ol
• Synonyms: 2-Phenylquinazolin-4-ol

Database IDs

• CAS Number: 1022-45-3
• MDL Number: MFCD00092169
• PubChem SID: 180679855
• PubChem CID: 279959

CALCULATED PROPERTIES

• Acid pKa: 12.705143
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1329646
• LogD (pH = 7.4): 4.132968
• Log P: 4.13297
• Molar Refractivity: 76.506 cm^3
• Polarizability: 27.020079 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%