2-(2-phenoxyethoxy)benzohydrazide

• ChemBase ID: 230525
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1(C(=O)NN)c(OCCOc2ccccc2)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1OCCOc1ccccc1
• InChI: InChI=1S/C15H16N2O3/c16-17-15(18)13-8-4-5-9-14(13)20-11-10-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: XFEWOGLCORMRHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenoxyethoxy)benzohydrazide
• IUPAC Traditional name: 2-(2-phenoxyethoxy)benzohydrazide
• Synonyms: 2-(2-Phenoxy-ethoxy)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD02724828
• PubChem SID: 164286435
• PubChem CID: 2360856

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.576654
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0130188
• LogD (pH = 7.4): 2.0137787
• Log P: 2.0137887
• Molar Refractivity: 76.6359 cm^3
• Polarizability: 29.218523 Å^3
• Polar Surface Area: 73.58 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.129

Product Information

• Purity: 95%