1-(2-chloroethoxy)-3-(propan-2-yloxy)benzene

• ChemBase ID: 312509
• Molecular Formular: C11H15ClO2
• Molecular Mass: 214.6886
• Monoisotopic Mass: 214.0760574
• SMILES: c1c(OC(C)C)cccc1OCCCl
• Canonical SMILES: ClCCOc1cccc(c1)OC(C)C
• InChI: InChI=1S/C11H15ClO2/c1-9(2)14-11-5-3-4-10(8-11)13-7-6-12/h3-5,8-9H,6-7H2,1-2H3
• InChIKey: FFOCSJPZJHRUJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-3-(propan-2-yloxy)benzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-3-isopropoxybenzene
• Synonyms: 1-(2-chloroethoxy)-3-isopropoxybenzene

Database IDs

• CAS Number: 915924-15-1
• MDL Number: MFCD08691947

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: 22.708841 Å^3
• Polar Surface Area: 18.46 Å^2