3-methoxy-4-(propan-2-yloxy)benzohydrazide

• ChemBase ID: 233986
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: C(=O)(c1cc(c(OC(C)C)cc1)OC)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)OC)OC(C)C
• InChI: InChI=1S/C11H16N2O3/c1-7(2)16-9-5-4-8(11(14)13-12)6-10(9)15-3/h4-7H,12H2,1-3H3,(H,13,14)
• InChIKey: ZFWGCOPUKPGJNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(propan-2-yloxy)benzohydrazide
• IUPAC Traditional name: 4-isopropoxy-3-methoxybenzohydrazide
• Synonyms: 4-isopropoxy-3-methoxybenzohydrazide

Database IDs

• MDL Number: MFCD02176847
• PubChem SID: 164289896
• PubChem CID: 2114033

CALCULATED PROPERTIES

• Acid pKa: 14.139725
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.98454565
• LogD (pH = 7.4): 0.98543936
• Log P: 0.98545086
• Molar Refractivity: 61.7143 cm^3
• Polarizability: 23.324453 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.936

Product Information

• Purity: 95%