5-(ethoxymethyl)quinolin-8-ol

• ChemBase ID: 311176
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: c12c(c(ccc2O)COCC)cccn1
• Canonical SMILES: CCOCc1ccc(c2c1cccn2)O
• InChI: InChI=1S/C12H13NO2/c1-2-15-8-9-5-6-11(14)12-10(9)4-3-7-13-12/h3-7,14H,2,8H2,1H3
• InChIKey: JQYCYUYNAZPXJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(ethoxymethyl)quinolin-8-ol
• IUPAC Traditional name: 5-(ethoxymethyl)quinolin-8-ol
• Synonyms: 5-(ethoxymethyl)-8-quinolinol

Database IDs

• CAS Number: 22049-19-0
• MDL Number: MFCD01057783

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0245771
• LogD (pH = 7.4): 2.0419059
• Log P: 2.0599198
• Molar Refractivity: 58.2759 cm^3
• Polarizability: 23.781246 Å^3
• Polar Surface Area: 42.35 Å^2