1-chloro-4-[(6-chlorohexyl)oxy]benzene

• ChemBase ID: 164490
• Molecular Formular: C12H16Cl2O
• Molecular Mass: 247.16084
• Monoisotopic Mass: 246.05782049
• SMILES: c1c(ccc(c1)OCCCCCCCl)Cl
• Canonical SMILES: ClCCCCCCOc1ccc(cc1)Cl
• InChI: InChI=1S/C12H16Cl2O/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8H,1-4,9-10H2
• InChIKey: RIOKFDHMRBNFHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-[(6-chlorohexyl)oxy]benzene
• IUPAC Traditional name: 1-chloro-4-[(6-chlorohexyl)oxy]benzene
• Synonyms: 1-Chloro-4-[(6-chlorohexyl)oxy]benzene; 6-(4-Chlorophenoxy)hexyl Chloride; 6-(4-Chlorophenoxy) Hexylchloride

Database IDs

• CAS Number: 467235-25-2
• PubChem SID: 162258625
• PubChem CID: 4206944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5505686
• LogD (pH = 7.4): 4.5505686
• Log P: 4.5505686
• Molar Refractivity: 65.3813 cm^3
• Polarizability: 25.734138 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Brown Liquid