[4-(4-methoxyquinazolin-6-yl)phenyl]methanol

• ChemBase ID: 639257
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: c12cc(c3ccc(cc3)CO)ccc2ncnc1OC
• Canonical SMILES: OCc1ccc(cc1)c1ccc2c(c1)c(OC)ncn2
• InChI: InChI=1S/C16H14N2O2/c1-20-16-14-8-13(6-7-15(14)17-10-18-16)12-4-2-11(9-19)3-5-12/h2-8,10,19H,9H2,1H3
• InChIKey: CMVUKCSTZIJIIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-methoxyquinazolin-6-yl)phenyl]methanol
• IUPAC Traditional name: [4-(4-methoxyquinazolin-6-yl)phenyl]methanol
• Synonyms: [4-(4-methoxy-6-quinazolinyl)phenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.993641
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7413085
• LogD (pH = 7.4): 2.7417192
• Log P: 2.7417245
• Molar Refractivity: 77.5293 cm^3
• Polarizability: 32.046883 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.87
• LOG S: -3.6
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 3