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

C15H14N2O4 — CID 137050265

IUPAC4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol
SMILESCCOc1ccccc1/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-2-21-15-6-4-3-5-12(15)16-10-11-7-8-14(18)13(9-11)17(19)20/h3-10,18H,2H2,1H3/b16-10+
InChIKeySMYRUISZMMRWGR-MHWRWJLKSA-N
MW286.29 g/mol
LogP3.45
Rot. Bonds5

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

4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol (PubChem CID 137050265) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol
PubChem CID137050265
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol
SMILESCCOc1ccccc1/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-2-21-15-6-4-3-5-12(15)16-10-11-7-8-14(18)13(9-11)17(19)20/h3-10,18H,2H2,1H3/b16-10+
InChIKeySMYRUISZMMRWGR-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-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129
(2R)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 136766871
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137151796
4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
(2S)-2-[4-[(2-ethoxyphenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126019087
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol?
The IUPAC name of 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol (CID 137050265) is 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol.
What is the SMILES notation for 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol?
The canonical SMILES for 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol is CCOc1ccccc1/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol?
The InChIKey is SMYRUISZMMRWGR-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-15-6-4-3-5-12(15)16-10-11-7-8-14(18)13(9-11)17(19)20/h3-10,18H,2H2,1H3/b16-10+.
What are the key properties of 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol?
4-[(2-ethoxyphenyl)iminomethyl]-2-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 4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol is sourced from PubChem (CID 137050265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).