1-(1-chloroethyl)-2-methoxybenzene

• ChemBase ID: 243299
• Molecular Formular: C9H11ClO
• Molecular Mass: 170.63604
• Monoisotopic Mass: 170.04984265
• SMILES: c1(c(OC)cccc1)C(Cl)C
• Canonical SMILES: COc1ccccc1C(Cl)C
• InChI: InChI=1S/C9H11ClO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,1-2H3
• InChIKey: UIXXSMPGNUPHSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-chloroethyl)-2-methoxybenzene
• IUPAC Traditional name: 1-(1-chloroethyl)-2-methoxybenzene
• Synonyms: 1-(1-chloroethyl)-2-methoxybenzene

Database IDs

• MDL Number: MFCD11186442
• PubChem SID: 164299209
• PubChem CID: 21398723

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8193917
• LogD (pH = 7.4): 2.8193917
• Log P: 2.8193917
• Molar Refractivity: 46.8069 cm^3
• Polarizability: 18.339886 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.152

Product Information

• Purity: 95%