4-(phenoxymethyl)benzohydrazide

• ChemBase ID: 230500
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1ccc(COc2ccccc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-16-14(17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10,15H2,(H,16,17)
• InChIKey: PVXRWARELOUENL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(phenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(phenoxymethyl)benzohydrazide
• Synonyms: 4-Phenoxymethyl-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD02714403
• PubChem SID: 164286410
• PubChem CID: 2333485

CALCULATED PROPERTIES

• Acid pKa: 14.34836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0933251
• LogD (pH = 7.4): 2.094201
• Log P: 2.0942123
• Molar Refractivity: 70.6963 cm^3
• Polarizability: 26.690245 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 1.952

Product Information

• Purity: 95%