2-(4-methoxyphenoxy)propanoyl chloride

• ChemBase ID: 56302
• Molecular Formular: C10H11ClO3
• Molecular Mass: 214.64554
• Monoisotopic Mass: 214.03967189
• SMILES: C(=O)(C(Oc1ccc(cc1)OC)C)Cl
• Canonical SMILES: COc1ccc(cc1)OC(C(=O)Cl)C
• InChI: InChI=1S/C10H11ClO3/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3
• InChIKey: IOMGKYYTJICTNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)propanoyl chloride
• IUPAC Traditional name: 2-(4-methoxyphenoxy)propanoyl chloride
• Synonyms: 2-(4-Methoxyphenoxy)propanoyl chloride

Database IDs

• MDL Number: MFCD03421596
• PubChem SID: 162061065
• PubChem CID: 13435229

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2379804
• LogD (pH = 7.4): 2.2379804
• Log P: 2.2379804
• Molar Refractivity: 53.4214 cm^3
• Polarizability: 21.023102 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false