5-(methoxymethyl)quinolin-8-ol

• ChemBase ID: 188165
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c12c(c(ccc2O)COC)cccn1
• Canonical SMILES: COCc1ccc(c2c1cccn2)O
• InChI: InChI=1S/C11H11NO2/c1-14-7-8-4-5-10(13)11-9(8)3-2-6-12-11/h2-6,13H,7H2,1H3
• InChIKey: YNADRYIGLPRUCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)quinolin-8-ol
• IUPAC Traditional name: 8QUINOLINOL5methoxymethyl

Database IDs

• PubChem SID: 164244075
• PubChem CID: 690129

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6677653
• LogD (pH = 7.4): 1.6850985
• Log P: 1.7031119
• Molar Refractivity: 53.5273 cm^3
• Polarizability: 21.9353 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 8.810074

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds