1-(2-chloroethoxy)-4-propoxybenzene

• ChemBase ID: 312448
• Molecular Formular: C11H15ClO2
• Molecular Mass: 214.6886
• Monoisotopic Mass: 214.0760574
• SMILES: c1(ccc(cc1)OCCCl)OCCC
• Canonical SMILES: CCCOc1ccc(cc1)OCCCl
• InChI: InChI=1S/C11H15ClO2/c1-2-8-13-10-3-5-11(6-4-10)14-9-7-12/h3-6H,2,7-9H2,1H3
• InChIKey: LECGGZPJZOZRRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-4-propoxybenzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-4-propoxybenzene
• Synonyms: 1-(2-chloroethoxy)-4-propoxybenzene

Database IDs

• CAS Number: 915923-28-3
• MDL Number: MFCD08753019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2017236
• LogD (pH = 7.4): 3.2017236
• Log P: 3.2017236
• Molar Refractivity: 57.6003 cm^3
• Polarizability: 22.70807 Å^3
• Polar Surface Area: 18.46 Å^2