2-(4-phenylphenoxy)propanehydrazide

• ChemBase ID: 27221
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(C(Oc1ccc(c2ccccc2)cc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C15H16N2O2/c1-11(15(18)17-16)19-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,16H2,1H3,(H,17,18)
• InChIKey: FFMVOBJHZPFTGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-phenylphenoxy)propanehydrazide
• Synonyms: 2-(1,1'-Biphenyl-4-yloxy)propanohydrazide; 2-(biphenyl-4-yloxy)propanohydrazide

Database IDs

• CAS Number: 587852-93-5
• MDL Number: MFCD03423140
• PubChem SID: 160990528
• PubChem CID: 3487591

CALCULATED PROPERTIES

• Acid pKa: 12.373559
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4047315
• LogD (pH = 7.4): 2.4061074
• Log P: 2.4061291
• Molar Refractivity: 74.5422 cm^3
• Polarizability: 30.136139 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false