2-methyl-2-phenylpropanoyl chloride

• ChemBase ID: 267158
• Molecular Formular: C10H11ClO
• Molecular Mass: 182.64674
• Monoisotopic Mass: 182.04984265
• SMILES: C(C(=O)Cl)(c1ccccc1)(C)C
• Canonical SMILES: ClC(=O)C(c1ccccc1)(C)C
• InChI: InChI=1S/C10H11ClO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
• InChIKey: XSKYEGXKYATCRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylpropanoyl chloride
• IUPAC Traditional name: 2-methyl-2-phenylpropanoyl chloride
• Synonyms: 2-methyl-2-phenylpropanoyl chloride

Database IDs

• MDL Number: MFCD09903682
• PubChem SID: 164323068
• PubChem CID: 12369086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2433243
• LogD (pH = 7.4): 3.2433243
• Log P: 3.2433243
• Molar Refractivity: 50.2996 cm^3
• Polarizability: 19.616274 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.607

Product Information

• Purity: 95%