2-(2-benzylphenoxy)acetohydrazide

• ChemBase ID: 230546
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(NN)COc1c(Cc2ccccc2)cccc1
• Canonical SMILES: NNC(=O)COc1ccccc1Cc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c16-17-15(18)11-19-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: SYAPDVRQINVHHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-benzylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2-benzylphenoxy)acetohydrazide
• Synonyms: (2-Benzyl-phenoxy)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD03152535
• PubChem SID: 164286456
• PubChem CID: 2345197

CALCULATED PROPERTIES

• Acid pKa: 12.396833
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2805154
• LogD (pH = 7.4): 2.2819118
• Log P: 2.2819335
• Molar Refractivity: 74.6493 cm^3
• Polarizability: 28.68167 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.276

Product Information

• Purity: 95%