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

C15H14N2O4 — CID 710256

IUPAC2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-14-6-3-12(4-7-14)16-10-11-9-13(17(19)20)5-8-15(11)18/h3-10,18H,2H2,1H3/b16-10+
InChIKeyKERZFWHQJGDXBC-MHWRWJLKSA-N
MW286.29 g/mol
LogP3.45
Rot. Bonds5

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

2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 710256) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID710256
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-14-6-3-12(4-7-14)16-10-11-9-13(17(19)20)5-8-15(11)18/h3-10,18H,2H2,1H3/b16-10+
InChIKeyKERZFWHQJGDXBC-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-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137043484
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
1-[2-(2,4-dinitrophenoxy)phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126215266
2-[(4-ethoxyphenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 3590766
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 3429052
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-nitrophenyl)methanimine
CID 126192901
2-(3H-benzimidazol-5-yliminomethyl)-4-nitrophenol
CID 3094369
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
CID 5136816

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol (CID 710256) is 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol is CCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is KERZFWHQJGDXBC-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-14-6-3-12(4-7-14)16-10-11-9-13(17(19)20)5-8-15(11)18/h3-10,18H,2H2,1H3/b16-10+.
What are the key properties of 2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol?
2-[(4-ethoxyphenyl)iminomethyl]-4-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]-4-nitrophenol is sourced from PubChem (CID 710256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).