7-(benzyloxy)quinolin-4-ol

• ChemBase ID: 92046
• Molecular Formular: C16H13NO2
• Molecular Mass: 251.27992
• Monoisotopic Mass: 251.09462866
• SMILES: n1ccc(c2ccc(cc12)OCc1ccccc1)O
• Canonical SMILES: Oc1ccnc2c1ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C16H13NO2/c18-16-8-9-17-15-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)
• InChIKey: KWQRHYWEGFFXKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)quinolin-4-ol
• IUPAC Traditional name: 7-(benzyloxy)quinolin-4-ol
• Synonyms: 7-(Benzyloxy)quinolin-4-ol; 7-(Benzyloxy)-4-hydroxyquinoline; 7-(Benzyloxy)quinolin-4-ol

Database IDs

• CAS Number: 749922-34-7
• MDL Number: MFCD06659963
• PubChem SID: 162078744
• PubChem CID: 21075752

CALCULATED PROPERTIES

• Acid pKa: 10.694542
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3930297
• LogD (pH = 7.4): 3.3939059
• Log P: 3.394137
• Molar Refractivity: 73.036 cm^3
• Polarizability: 29.69868 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%