5-chloro-2-(cyclopentyloxy)benzaldehyde

• ChemBase ID: 284858
• Molecular Formular: C12H13ClO2
• Molecular Mass: 224.68342
• Monoisotopic Mass: 224.06040734
• SMILES: c1(c(OC2CCCC2)ccc(c1)Cl)C=O
• Canonical SMILES: O=Cc1cc(Cl)ccc1OC1CCCC1
• InChI: InChI=1S/C12H13ClO2/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-8,11H,1-4H2
• InChIKey: ZZBKVNNQZYGRDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(cyclopentyloxy)benzaldehyde
• IUPAC Traditional name: 5-chloro-2-(cyclopentyloxy)benzaldehyde
• Synonyms: 5-chloro-2-(cyclopentyloxy)benzaldehyde

Database IDs

• MDL Number: MFCD11103193
• PubChem SID: 180670389
• PubChem CID: 22622522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4868233
• LogD (pH = 7.4): 3.4868233
• Log P: 3.4868233
• Molar Refractivity: 60.3232 cm^3
• Polarizability: 23.247965 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.001

Product Information

• Purity: 95%