4-(4-chloro-3-methylphenoxymethyl)benzohydrazide

• ChemBase ID: 230475
• Molecular Formular: C15H15ClN2O2
• Molecular Mass: 290.7448
• Monoisotopic Mass: 290.08220541
• SMILES: C(=O)(c1ccc(COc2cc(c(cc2)Cl)C)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1ccc(c(c1)C)Cl
• InChI: InChI=1S/C15H15ClN2O2/c1-10-8-13(6-7-14(10)16)20-9-11-2-4-12(5-3-11)15(19)18-17/h2-8H,9,17H2,1H3,(H,18,19)
• InChIKey: FUORJFHDXZOCNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chloro-3-methylphenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(4-chloro-3-methylphenoxymethyl)benzohydrazide
• Synonyms: 4-(4-Chloro-3-methyl-phenoxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD03147218
• PubChem SID: 164286385
• PubChem CID: 1989522

CALCULATED PROPERTIES

• Log P: 3.2116783
• Molar Refractivity: 80.5423 cm^3
• Polarizability: 30.319183 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.34836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2107913
• LogD (pH = 7.4): 3.211667

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 3.304

Product Information

• Purity: 95%