2-(4-ethoxyphenoxy)acetyl chloride

• ChemBase ID: 118457
• Molecular Formular: C10H11ClO3
• Molecular Mass: 214.64554
• Monoisotopic Mass: 214.03967189
• SMILES: C(=O)(COc1ccc(cc1)OCC)Cl
• Canonical SMILES: CCOc1ccc(cc1)OCC(=O)Cl
• InChI: InChI=1S/C10H11ClO3/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3
• InChIKey: AAWZWSVNYNIBHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenoxy)acetyl chloride
• IUPAC Traditional name: 2-(4-ethoxyphenoxy)acetyl chloride
• Synonyms: (4-ethoxyphenoxy)acetyl chloride

Database IDs

• MDL Number: MFCD11939610
• PubChem SID: 162098462
• PubChem CID: 45496759

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.026024
• LogD (pH = 7.4): 2.026024
• Log P: 2.026024
• Molar Refractivity: 53.6761 cm^3
• Polarizability: 21.02282 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.564

Product Information

• Purity: 95+%