2-methyl-2-(4-phenylphenoxy)propanoyl chloride

• ChemBase ID: 56765
• Molecular Formular: C16H15ClO2
• Molecular Mass: 274.7421
• Monoisotopic Mass: 274.0760574
• SMILES: C(C(=O)Cl)(Oc1ccc(c2ccccc2)cc1)(C)C
• Canonical SMILES: ClC(=O)C(Oc1ccc(cc1)c1ccccc1)(C)C
• InChI: InChI=1S/C16H15ClO2/c1-16(2,15(17)18)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3
• InChIKey: QZQPBPWAAZSNBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(4-phenylphenoxy)propanoyl chloride
• IUPAC Traditional name: 2-methyl-2-(4-phenylphenoxy)propanoyl chloride
• Synonyms: 2-(Biphenyl-4-yloxy)-2-methylpropanoyl chloride

Database IDs

• MDL Number: MFCD12197865
• PubChem SID: 162061528
• PubChem CID: 46779618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.475643
• LogD (pH = 7.4): 4.475643
• Log P: 4.475643
• Molar Refractivity: 76.8077 cm^3
• Polarizability: 31.254452 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