[2-(3-chloropropoxy)ethyl]benzene

• ChemBase ID: 259801
• Molecular Formular: C11H15ClO
• Molecular Mass: 198.6892
• Monoisotopic Mass: 198.08114278
• SMILES: ClCCCOCCc1ccccc1
• Canonical SMILES: ClCCCOCCc1ccccc1
• InChI: InChI=1S/C11H15ClO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
• InChIKey: RFJWFACEKUQENW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-chloropropoxy)ethyl]benzene
• IUPAC Traditional name: [2-(3-chloropropoxy)ethyl]benzene
• Synonyms: [2-(3-chloropropoxy)ethyl]benzene

Database IDs

• MDL Number: MFCD10695667
• PubChem SID: 164315711
• PubChem CID: 18623207

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8621333
• LogD (pH = 7.4): 2.8621333
• Log P: 2.8621333
• Molar Refractivity: 56.5888 cm^3
• Polarizability: 21.962145 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.83

Product Information

• Purity: 95%