2-(benzyloxy)-5-chlorobenzaldehyde

• ChemBase ID: 25991
• Molecular Formular: C14H11ClO2
• Molecular Mass: 246.68894
• Monoisotopic Mass: 246.04475727
• SMILES: c1(c(OCc2ccccc2)ccc(c1)Cl)C=O
• Canonical SMILES: O=Cc1cc(Cl)ccc1OCc1ccccc1
• InChI: InChI=1S/C14H11ClO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: UKVVPQTUCJPTNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-chlorobenzaldehyde
• IUPAC Traditional name: 2-(benzyloxy)-5-chlorobenzaldehyde
• Synonyms: 2-(Benzyloxy)-5-chlorobenzaldehyde

Database IDs

• CAS Number: 38544-16-0
• MDL Number: MFCD03422424
• PubChem SID: 160989298
• PubChem CID: 890779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8565948
• LogD (pH = 7.4): 3.8565948
• Log P: 3.8565948
• Molar Refractivity: 68.5226 cm^3
• Polarizability: 26.187675 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.297

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%