2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide

• ChemBase ID: 27184
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: C(c1ccc(OCC(=O)NN)cc1)(c1ccccc1)(C)C
• Canonical SMILES: NNC(=O)COc1ccc(cc1)C(c1ccccc1)(C)C
• InChI: InChI=1S/C17H20N2O2/c1-17(2,13-6-4-3-5-7-13)14-8-10-15(11-9-14)21-12-16(20)19-18/h3-11H,12,18H2,1-2H3,(H,19,20)
• InChIKey: CDPDTMZORKWRDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide
• IUPAC Traditional name: 2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide
• Synonyms: 2-[4-(1-Methyl-1-phenylethyl)phenoxy]-acetohydrazide; 2-[4-(1-methyl-1-phenylethyl)phenoxy]acetohydrazide

Database IDs

• CAS Number: 70757-64-1
• MDL Number: MFCD02351180
• PubChem SID: 160990491
• PubChem CID: 4522448

CALCULATED PROPERTIES

• Acid pKa: 12.284889
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8675816
• LogD (pH = 7.4): 2.8689768
• Log P: 2.8689997
• Molar Refractivity: 94.1674 cm^3
• Polarizability: 32.364933 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false