(Z)-N-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)hydroxylamine

• ChemBase ID: 231899
• Molecular Formular: C15H14ClNO3
• Molecular Mass: 291.72956
• Monoisotopic Mass: 291.06622099
• SMILES: c1(c(OCc2ccc(Cl)cc2)ccc(c1)/C=N\O)OC
• Canonical SMILES: O/N=C\c1ccc(c(c1)OC)OCc1ccc(cc1)Cl
• InChI: InChI=1S/C15H14ClNO3/c1-19-15-8-12(9-17-18)4-7-14(15)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3/b17-9-
• InChIKey: GOJBOTXFJSHHLA-MFOYZWKCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)hydroxylamine
• IUPAC Traditional name: (Z)-N-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)hydroxylamine
• Synonyms: 4-(4-Chloro-benzyloxy)-3-methoxy-benzaldehyde oxime

Database IDs

• MDL Number: MFCD02192956
• PubChem SID: 164287809
• PubChem CID: 5399987

CALCULATED PROPERTIES

• Acid pKa: 8.10533
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7070913
• LogD (pH = 7.4): 3.6305854
• Log P: 3.708403
• Molar Refractivity: 78.8075 cm^3
• Polarizability: 30.07467 Å^3
• Polar Surface Area: 51.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.946

Product Information

• Purity: 95%