1-(2-chloroethoxy)-4-ethoxybenzene

• ChemBase ID: 231469
• Molecular Formular: C10H13ClO2
• Molecular Mass: 200.66202
• Monoisotopic Mass: 200.06040734
• SMILES: c1(ccc(cc1)OCCCl)OCC
• Canonical SMILES: ClCCOc1ccc(cc1)OCC
• InChI: InChI=1S/C10H13ClO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8H2,1H3
• InChIKey: PRXQWDDYOSLTGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-4-ethoxybenzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-4-ethoxybenzene
• Synonyms: 1-(2-Chloro-ethoxy)-4-ethoxy-benzene

Database IDs

• MDL Number: MFCD03982625
• PubChem SID: 164287379
• PubChem CID: 3733149

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6792011
• LogD (pH = 7.4): 2.6792011
• Log P: 2.6792011
• Molar Refractivity: 53.0763 cm^3
• Polarizability: 20.871098 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.271

Product Information

• Purity: 95%