2-(2-methylphenoxy)propanoyl chloride

• ChemBase ID: 56681
• Molecular Formular: C10H11ClO2
• Molecular Mass: 198.64614
• Monoisotopic Mass: 198.04475727
• SMILES: C(=O)(C(Oc1c(C)cccc1)C)Cl
• Canonical SMILES: ClC(=O)C(Oc1ccccc1C)C
• InChI: InChI=1S/C10H11ClO2/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h3-6,8H,1-2H3
• InChIKey: OGULJDOZDDVXLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenoxy)propanoyl chloride
• IUPAC Traditional name: 2-(2-methylphenoxy)propanoyl chloride
• Synonyms: 2-(2-Methylphenoxy)propanoyl chloride

Database IDs

• MDL Number: MFCD11939212
• PubChem SID: 162061444
• PubChem CID: 15006564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.909073
• LogD (pH = 7.4): 2.909073
• Log P: 2.909073
• Molar Refractivity: 51.9994 cm^3
• Polarizability: 20.23963 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false