4-[(naphthalen-2-yloxy)methyl]benzohydrazide

• ChemBase ID: 230502
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: C(=O)(c1ccc(COc2cc3c(cc2)cccc3)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C18H16N2O2/c19-20-18(21)15-7-5-13(6-8-15)12-22-17-10-9-14-3-1-2-4-16(14)11-17/h1-11H,12,19H2,(H,20,21)
• InChIKey: JTTUPOZCHZRWSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(naphthalen-2-yloxy)methyl]benzohydrazide
• IUPAC Traditional name: 4-[(naphthalen-2-yloxy)methyl]benzohydrazide
• Synonyms: 4-(Naphthalen-2-yloxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD02714421
• PubChem SID: 164286412
• PubChem CID: 840751

CALCULATED PROPERTIES

• Acid pKa: 14.34836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.082802
• LogD (pH = 7.4): 3.0836778
• Log P: 3.083689
• Molar Refractivity: 87.1465 cm^3
• Polarizability: 34.231586 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.126

Product Information

• Purity: 95%