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

• ChemBase ID: 27217
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: C(=O)(C(Oc1ccc(C(c2ccccc2)(C)C)cc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)C(c1ccccc1)(C)C)C
• InChI: InChI=1S/C18H22N2O2/c1-13(17(21)20-19)22-16-11-9-15(10-12-16)18(2,3)14-7-5-4-6-8-14/h4-13H,19H2,1-3H3,(H,20,21)
• InChIKey: CBIXTMKFLPNLBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 70757-69-6
• MDL Number: MFCD03423136
• PubChem SID: 160990524
• PubChem CID: 3736415

CALCULATED PROPERTIES

• Acid pKa: 12.309329
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4363663
• LogD (pH = 7.4): 3.4377415
• Log P: 3.437764
• Molar Refractivity: 98.6613 cm^3
• Polarizability: 34.209053 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