2-methoxyquinazolin-4-ol

• ChemBase ID: 235953
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: n1c(c2c(nc1OC)cccc2)O
• Canonical SMILES: COc1nc2ccccc2c(n1)O
• InChI: InChI=1S/C9H8N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-5H,1H3,(H,10,11,12)
• InChIKey: VBTJLUHQGXNGAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyquinazolin-4-ol
• IUPAC Traditional name: 2-methoxyquinazolin-4-ol
• Synonyms: 2-methoxyquinazolin-4-ol

Database IDs

• MDL Number: MFCD00126781
• PubChem SID: 164291863
• PubChem CID: 344384

CALCULATED PROPERTIES

• Acid pKa: 12.248238
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2370646
• LogD (pH = 7.4): 2.2370634
• Log P: 2.2370696
• Molar Refractivity: 47.5041 cm^3
• Polarizability: 19.180208 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 230°C
• Hydrophobicity(logP): 2.648

Product Information

• Purity: 95%