2-(2-phenylphenoxy)acetohydrazide

• ChemBase ID: 21590
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(NN)COc1c(c2ccccc2)cccc1
• Canonical SMILES: NNC(=O)COc1ccccc1c1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-16-14(17)10-18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: PSZZXIHTHWICJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2-phenylphenoxy)acetohydrazide
• Synonyms: 2-([1,1'-Biphenyl]-2-yloxy)acetohydrazide; (Biphenyl-2-yloxy)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD00980733
• PubChem SID: 160984897
• PubChem CID: 870676

CALCULATED PROPERTIES

• Acid pKa: 12.58477
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8359469
• LogD (pH = 7.4): 1.8373444
• Log P: 1.8373649
• Molar Refractivity: 70.0483 cm^3
• Polarizability: 28.295637 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.537

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%