1-(2-chloroethoxy)-2-(propan-2-yloxy)benzene

• ChemBase ID: 312620
• Molecular Formular: C11H15ClO2
• Molecular Mass: 214.6886
• Monoisotopic Mass: 214.0760574
• SMILES: c1(OC(C)C)c(OCCCl)cccc1
• Canonical SMILES: ClCCOc1ccccc1OC(C)C
• InChI: InChI=1S/C11H15ClO2/c1-9(2)14-11-6-4-3-5-10(11)13-8-7-12/h3-6,9H,7-8H2,1-2H3
• InChIKey: HDUDGONCMKFTKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-2-(propan-2-yloxy)benzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-2-isopropoxybenzene
• Synonyms: 1-(2-chloroethoxy)-2-isopropoxybenzene

Database IDs

• CAS Number: 915921-87-8
• MDL Number: MFCD08691981

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.095776
• LogD (pH = 7.4): 3.095776
• Log P: 3.095776
• Molar Refractivity: 57.4951 cm^3
• Polarizability: 22.710339 Å^3
• Polar Surface Area: 18.46 Å^2