2-(4-phenylphenoxy)acetyl chloride

• ChemBase ID: 56310
• Molecular Formular: C14H11ClO2
• Molecular Mass: 246.68894
• Monoisotopic Mass: 246.04475727
• SMILES: C(=O)(COc1ccc(c2ccccc2)cc1)Cl
• Canonical SMILES: ClC(=O)COc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H11ClO2/c15-14(16)10-17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: HORIELQEHOGTBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenoxy)acetyl chloride
• IUPAC Traditional name: 2-(4-phenylphenoxy)acetyl chloride
• Synonyms: (Biphenyl-4-yloxy)acetyl chloride; 2-([1,1'-biphenyl]-4-yloxy)acetyl chloride

Database IDs

• MDL Number: MFCD11107993
• PubChem SID: 162061073
• PubChem CID: 12227849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4741127
• LogD (pH = 7.4): 3.4741127
• Log P: 3.4741127
• Molar Refractivity: 67.6005 cm^3
• Polarizability: 27.56388 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false