2-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde

• ChemBase ID: 311978
• Molecular Formular: C11H11ClO3
• Molecular Mass: 226.65624
• Monoisotopic Mass: 226.03967189
• SMILES: c1(c(cc(c(c1)OC)OCC=C)Cl)C=O
• Canonical SMILES: C=CCOc1cc(Cl)c(cc1OC)C=O
• InChI: InChI=1S/C11H11ClO3/c1-3-4-15-11-6-9(12)8(7-13)5-10(11)14-2/h3,5-7H,1,4H2,2H3
• InChIKey: NRDGWVVVMWKGRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 2-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 4-(allyloxy)-2-chloro-5-methoxybenzaldehyde

Database IDs

• CAS Number: 692279-00-8
• MDL Number: MFCD02380262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7057002
• LogD (pH = 7.4): 2.7057002
• Log P: 2.7057002
• Molar Refractivity: 59.5359 cm^3
• Polarizability: 22.607695 Å^3
• Polar Surface Area: 35.53 Å^2