8-ethoxyquinoline-2-carbaldehyde

• ChemBase ID: 121578
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: n1c2c(OCC)cccc2ccc1C=O
• Canonical SMILES: CCOc1cccc2c1nc(C=O)cc2
• InChI: InChI=1S/C12H11NO2/c1-2-15-11-5-3-4-9-6-7-10(8-14)13-12(9)11/h3-8H,2H2,1H3
• InChIKey: LZLUJBIKHOHDDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethoxyquinoline-2-carbaldehyde
• IUPAC Traditional name: 8-ethoxyquinoline-2-carbaldehyde
• Synonyms: 8-ethoxyquinoline-2-carbaldehyde

Database IDs

• MDL Number: MFCD05668142
• PubChem SID: 162215931
• PubChem CID: 1256105

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.717058
• LogD (pH = 7.4): 2.7170823
• Log P: 2.7170825
• Molar Refractivity: 57.3899 cm^3
• Polarizability: 23.223047 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.715

Product Information

• Purity: 95%