4-(4-phenylphenoxymethyl)benzohydrazide

• ChemBase ID: 230516
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: C(=O)(c1ccc(COc2ccc(c3ccccc3)cc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H18N2O2/c21-22-20(23)18-8-6-15(7-9-18)14-24-19-12-10-17(11-13-19)16-4-2-1-3-5-16/h1-13H,14,21H2,(H,22,23)
• InChIKey: NGKBAAMZFKJTRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenylphenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(4-phenylphenoxymethyl)benzohydrazide
• Synonyms: 4-(Biphenyl-4-yloxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD02725167
• PubChem SID: 164286426
• PubChem CID: 2368822

CALCULATED PROPERTIES

• Acid pKa: 14.34836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.7405505
• LogD (pH = 7.4): 3.7414265
• Log P: 3.7414377
• Molar Refractivity: 95.8325 cm^3
• Polarizability: 37.689404 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 3.84

Product Information

• Purity: 95%