2-(4-chloro-2,6-dimethylphenoxy)propanehydrazide

• ChemBase ID: 233864
• Molecular Formular: C11H15ClN2O2
• Molecular Mass: 242.702
• Monoisotopic Mass: 242.08220541
• SMILES: c1(OC(C(=O)NN)C)c(cc(cc1C)Cl)C
• Canonical SMILES: NNC(=O)C(Oc1c(C)cc(cc1C)Cl)C
• InChI: InChI=1S/C11H15ClN2O2/c1-6-4-9(12)5-7(2)10(6)16-8(3)11(15)14-13/h4-5,8H,13H2,1-3H3,(H,14,15)
• InChIKey: IFXMCAILWJWOMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-2,6-dimethylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-chloro-2,6-dimethylphenoxy)propanehydrazide
• Synonyms: 2-(4-chloro-2,6-dimethylphenoxy)propanohydrazide

Database IDs

• MDL Number: MFCD04625503
• PubChem SID: 164289774
• PubChem CID: 4982963

CALCULATED PROPERTIES

• Acid pKa: 11.662283
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.388393
• LogD (pH = 7.4): 2.3897521
• Log P: 2.3897913
• Molar Refractivity: 64.2932 cm^3
• Polarizability: 24.582888 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.369

Product Information

• Purity: 95%