2-[4-(benzyloxy)phenoxy]acetohydrazide

• ChemBase ID: 230529
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(NN)COc1ccc(OCc2ccccc2)cc1
• Canonical SMILES: NNC(=O)COc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C15H16N2O3/c16-17-15(18)11-20-14-8-6-13(7-9-14)19-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: POMVMGQSRFORFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)phenoxy]acetohydrazide
• IUPAC Traditional name: 2-[4-(benzyloxy)phenoxy]acetohydrazide
• Synonyms: (4-Benzyloxy-phenoxy)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD01112517
• PubChem SID: 164286439
• PubChem CID: 781545

CALCULATED PROPERTIES

• Acid pKa: 11.810793
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.755523
• LogD (pH = 7.4): 1.7569082
• Log P: 1.7569414
• Molar Refractivity: 75.9879 cm^3
• Polarizability: 29.428251 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 2.066

Product Information

• Purity: 95%