2-(4-benzoylphenoxy)propanehydrazide

• ChemBase ID: 233805
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: C(=O)(C(Oc1ccc(C(=O)c2ccccc2)cc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)C(=O)c1ccccc1)C
• InChI: InChI=1S/C16H16N2O3/c1-11(16(20)18-17)21-14-9-7-13(8-10-14)15(19)12-5-3-2-4-6-12/h2-11H,17H2,1H3,(H,18,20)
• InChIKey: REPMTIVSOAPCHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-benzoylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-benzoylphenoxy)propanehydrazide
• Synonyms: 2-(4-benzoylphenoxy)propanohydrazide

Database IDs

• MDL Number: MFCD04623530
• PubChem SID: 164289715
• PubChem CID: 4989006

CALCULATED PROPERTIES

• Acid pKa: 11.574254
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2173738
• LogD (pH = 7.4): 2.2182195
• Log P: 2.218257
• Molar Refractivity: 79.9815 cm^3
• Polarizability: 30.8095 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.857

Product Information

• Purity: 95%