1-(2-chloroethyl)-4-methoxybenzene

• ChemBase ID: 123407
• Molecular Formular: C9H11ClO
• Molecular Mass: 170.63604
• Monoisotopic Mass: 170.04984265
• SMILES: c1(ccc(cc1)CCCl)OC
• Canonical SMILES: ClCCc1ccc(cc1)OC
• InChI: InChI=1S/C9H11ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
• InChIKey: PMIAMRAWHYEPNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethyl)-4-methoxybenzene
• IUPAC Traditional name: 1-(2-chloroethyl)-4-methoxybenzene
• Synonyms: 1-(2-chloroethyl)-4-methoxybenzene; 1-(2-Chloroethyl)-4-methoxy-benzene; 2-(4-Methoxyphenyl)ethylchloride; p-(2-Chloro)ethyl Anisole

Database IDs

• CAS Number: 18217-00-0
• PubChem SID: 162217760
• PubChem CID: 87513

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6914778
• LogD (pH = 7.4): 2.6914778
• Log P: 2.6914778
• Molar Refractivity: 47.1431 cm^3
• Polarizability: 18.263601 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ether; Methanol
• Apperance: Light Yellow Syrup
• Boiling Point: 90-93°C/1mm

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere