2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol

C15H14N2O4 — CID 3429052

IUPAC2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
SMILESCCOc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-13-8-6-12(7-9-13)16-10-11-4-3-5-14(15(11)18)17(19)20/h3-10,18H,2H2,1H3/b16-10+
InChIKeyFTBDKCZCSGBJMW-MHWRWJLKSA-N
MW286.29 g/mol
LogP3.45
Rot. Bonds5

About 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol

2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol (PubChem CID 3429052) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
PubChem CID3429052
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
SMILESCCOc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-13-8-6-12(7-9-13)16-10-11-4-3-5-14(15(11)18)17(19)20/h3-10,18H,2H2,1H3/b16-10+
InChIKeyFTBDKCZCSGBJMW-MHWRWJLKSA-N
XLogP3.45
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxyphenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 3590766
2-[[4-(4-methylphenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172966
[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl] 4-pentoxybenzoate
CID 4197792
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172953
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
N-(4-ethoxyphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
CID 778938
1-[2-(2,4-dinitrophenoxy)phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126215266
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
4-chloro-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7983562
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol (CID 3429052) is 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol is CCOc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is FTBDKCZCSGBJMW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-13-8-6-12(7-9-13)16-10-11-4-3-5-14(15(11)18)17(19)20/h3-10,18H,2H2,1H3/b16-10+.
What are the key properties of 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol?
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 286.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 3429052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).