2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C14H12N4O6 — CID 135589413

IUPAC2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1c(O)ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O6/c1-24-14-12(19)7-2-9(13(14)18(22)23)8-15-16-10-3-5-11(6-4-10)17(20)21/h2-8,16,19H,1H3/b15-8+
InChIKeyUFWJMURXHVNGLX-OVCLIPMQSA-N
MW332.27 g/mol
LogP2.66
Rot. Bonds6

About 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135589413) has the molecular formula C14H12N4O6 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135589413
Molecular FormulaC14H12N4O6
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC Name2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1c(O)ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O6/c1-24-14-12(19)7-2-9(13(14)18(22)23)8-15-16-10-3-5-11(6-4-10)17(20)21/h2-8,16,19H,1H3/b15-8+
InChIKeyUFWJMURXHVNGLX-OVCLIPMQSA-N
XLogP2.66
TPSA140.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate
CID 135642261
4-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-methoxy-3-nitrophenol
CID 137089110
2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 136713274
2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 136713263
2-bromo-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 5221526
4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol
CID 177439192
2-chloro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 136714380
4-amino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 135909224
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135644192
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135589413) is 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is COc1c(O)ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is UFWJMURXHVNGLX-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N4O6/c1-24-14-12(19)7-2-9(13(14)18(22)23)8-15-16-10-3-5-11(6-4-10)17(20)21/h2-8,16,19H,1H3/b15-8+.
What are the key properties of 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 332.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135589413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).