8-methoxyquinazolin-4-ol

• ChemBase ID: 292279
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: COc1c2ncnc(O)c2ccc1
• Canonical SMILES: COc1cccc2c1ncnc2O
• InChI: InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)10-5-11-9(6)12/h2-5H,1H3,(H,10,11,12)
• InChIKey: CKBSLDWXPYMOIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinazolin-4-ol
• IUPAC Traditional name: 8-methoxyquinazolin-4-ol
• Synonyms: 8-Methoxyquinazolin-4-ol

Database IDs

• CAS Number: 16064-27-0
• PubChem SID: 180677810
• PubChem CID: 12841543

CALCULATED PROPERTIES

• Acid pKa: 12.9242735
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5582832
• LogD (pH = 7.4): 1.5582821
• Log P: 1.5582834
• Molar Refractivity: 47.5581 cm^3
• Polarizability: 19.180206 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%