1-(2-chloroethoxy)-2-methoxy-4-methylbenzene

• ChemBase ID: 312290
• Molecular Formular: C10H13ClO2
• Molecular Mass: 200.66202
• Monoisotopic Mass: 200.06040734
• SMILES: c1(c(ccc(c1)C)OCCCl)OC
• Canonical SMILES: ClCCOc1ccc(cc1OC)C
• InChI: InChI=1S/C10H13ClO2/c1-8-3-4-9(13-6-5-11)10(7-8)12-2/h3-4,7H,5-6H2,1-2H3
• InChIKey: XXQYXKQZJWOWCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 521061-61-0
• MDL Number: MFCD08691884

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8358145
• LogD (pH = 7.4): 2.8358145
• Log P: 2.8358145
• Molar Refractivity: 53.3689 cm^3
• Polarizability: 20.797934 Å^3
• Polar Surface Area: 18.46 Å^2