4-(benzyloxy)-3,5-dichlorobenzaldehyde

• ChemBase ID: 84571
• Molecular Formular: C14H10Cl2O2
• Molecular Mass: 281.134
• Monoisotopic Mass: 280.00578492
• SMILES: O(c1c(cc(cc1Cl)C=O)Cl)Cc1ccccc1
• Canonical SMILES: O=Cc1cc(Cl)c(c(c1)Cl)OCc1ccccc1
• InChI: InChI=1S/C14H10Cl2O2/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: MOEUXDGQMNVPHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-3,5-dichlorobenzaldehyde
• IUPAC Traditional name: 4-(benzyloxy)-3,5-dichlorobenzaldehyde
• Synonyms: 4-(benzyloxy)-3,5-dichlorobenzaldehyde

Database IDs

• MDL Number: MFCD00831646
• PubChem SID: 162071687
• PubChem CID: 2782228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4606395
• LogD (pH = 7.4): 4.4606395
• Log P: 4.4606395
• Molar Refractivity: 73.3274 cm^3
• Polarizability: 28.125057 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true