4-phenylquinazolin-2-ol

• ChemBase ID: 113151
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: c1(nc(nc2c1cccc2)O)c1ccccc1
• Canonical SMILES: Oc1nc2ccccc2c(n1)c1ccccc1
• InChI: InChI=1S/C14H10N2O/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
• InChIKey: FHUBTSLLILWICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00297914
• PubChem SID: 162098002
• PubChem CID: 63430

CALCULATED PROPERTIES

• Acid pKa: 13.691865
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8333585
• LogD (pH = 7.4): 3.8333588
• Log P: 3.833359
• Molar Refractivity: 65.4916 cm^3
• Polarizability: 27.744617 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.942

Product Information

• Purity: 95+%