2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol

C14H11N3O6 — CID 4595228

IUPAC2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O6/c1-23-11-3-4-12(13(7-11)17(21)22)15-8-9-6-10(16(19)20)2-5-14(9)18/h2-8,18H,1H3/b15-8+
InChIKeyLOUJLOAQMJSNCU-OVCLIPMQSA-N
MW317.26 g/mol
LogP2.97
Rot. Bonds5

About 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol

2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol (PubChem CID 4595228) has the molecular formula C14H11N3O6 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
PubChem CID4595228
Molecular FormulaC14H11N3O6
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC Name2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O6/c1-23-11-3-4-12(13(7-11)17(21)22)15-8-9-6-10(16(19)20)2-5-14(9)18/h2-8,18H,1H3/b15-8+
InChIKeyLOUJLOAQMJSNCU-OVCLIPMQSA-N
XLogP2.97
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135618942
4-methoxy-2-[(E)-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135578609
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol (CID 4595228) is 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol is COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol?
The InChIKey is LOUJLOAQMJSNCU-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H11N3O6/c1-23-11-3-4-12(13(7-11)17(21)22)15-8-9-6-10(16(19)20)2-5-14(9)18/h2-8,18H,1H3/b15-8+.
What are the key properties of 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol?
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol has a molecular weight of 317.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 4595228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).