4-(2-phenylphenoxymethyl)benzohydrazide

• ChemBase ID: 230518
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: C(=O)(c1ccc(COc2c(c3ccccc3)cccc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1ccccc1c1ccccc1
• InChI: InChI=1S/C20H18N2O2/c21-22-20(23)17-12-10-15(11-13-17)14-24-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14,21H2,(H,22,23)
• InChIKey: IRHMSOQRVXQNLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylphenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(2-phenylphenoxymethyl)benzohydrazide
• Synonyms: 4-(Biphenyl-2-yloxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD03148789
• PubChem SID: 164286428
• PubChem CID: 2337872

CALCULATED PROPERTIES

• Acid pKa: 14.348359
• 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: 37.695026 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.28

Product Information

• Purity: 95%