2-chloro-5-ethoxy-4-(propan-2-yloxy)benzaldehyde

• ChemBase ID: 311966
• Molecular Formular: C12H15ClO3
• Molecular Mass: 242.6987
• Monoisotopic Mass: 242.07097202
• SMILES: c1(cc(c(cc1OCC)C=O)Cl)OC(C)C
• Canonical SMILES: CCOc1cc(C=O)c(cc1OC(C)C)Cl
• InChI: InChI=1S/C12H15ClO3/c1-4-15-11-5-9(7-14)10(13)6-12(11)16-8(2)3/h5-8H,4H2,1-3H3
• InChIKey: IDSQTTSPDCFWSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-ethoxy-4-(propan-2-yloxy)benzaldehyde
• IUPAC Traditional name: 2-chloro-5-ethoxy-4-isopropoxybenzaldehyde
• Synonyms: 2-chloro-5-ethoxy-4-isopropoxybenzaldehyde

Database IDs

• CAS Number: 692267-55-3
• MDL Number: MFCD02379972

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1046412
• LogD (pH = 7.4): 3.1046412
• Log P: 3.1046412
• Molar Refractivity: 64.2892 cm^3
• Polarizability: 24.687445 Å^3
• Polar Surface Area: 35.53 Å^2