2-(2-chloroethoxy)-1,3-dimethoxybenzene

• ChemBase ID: 312264
• Molecular Formular: C10H13ClO3
• Molecular Mass: 216.66142
• Monoisotopic Mass: 216.05532196
• SMILES: c1(c(OC)cccc1OC)OCCCl
• Canonical SMILES: ClCCOc1c(OC)cccc1OC
• InChI: InChI=1S/C10H13ClO3/c1-12-8-4-3-5-9(13-2)10(8)14-7-6-11/h3-5H,6-7H2,1-2H3
• InChIKey: QJLAEVDWQPIZHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethoxy)-1,3-dimethoxybenzene
• IUPAC Traditional name: 2-(2-chloroethoxy)-1,3-dimethoxybenzene
• Synonyms: 2-(2-chloroethoxy)-1,3-dimethoxybenzene

Database IDs

• CAS Number: 24251-50-1
• MDL Number: MFCD08691875

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.164722
• LogD (pH = 7.4): 2.164722
• Log P: 2.164722
• Molar Refractivity: 54.7909 cm^3
• Polarizability: 21.582253 Å^3
• Polar Surface Area: 27.69 Å^2