4-butoxy-3-methoxybenzohydrazide

• ChemBase ID: 233295
• Molecular Formular: C12H18N2O3
• Molecular Mass: 238.28292
• Monoisotopic Mass: 238.13174245
• SMILES: C(=O)(c1cc(c(cc1)OCCCC)OC)NN
• Canonical SMILES: CCCCOc1ccc(cc1OC)C(=O)NN
• InChI: InChI=1S/C12H18N2O3/c1-3-4-7-17-10-6-5-9(12(15)14-13)8-11(10)16-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
• InChIKey: LKTFHRYMTHSIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butoxy-3-methoxybenzohydrazide
• IUPAC Traditional name: 4-butoxy-3-methoxybenzohydrazide
• Synonyms: 4-butoxy-3-methoxybenzohydrazide

Database IDs

• MDL Number: MFCD04638767
• PubChem SID: 164289205
• PubChem CID: 2414118

CALCULATED PROPERTIES

• Acid pKa: 14.145115
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5350608
• LogD (pH = 7.4): 1.5359554
• Log P: 1.5359669
• Molar Refractivity: 66.4205 cm^3
• Polarizability: 25.159855 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.685

Product Information

• Purity: 95%