2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol

C14H12N4O6 — CID 4227419

IUPAC2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
SMILESCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H12N4O6/c1-24-11-4-2-9(14(19)7-11)8-15-16-12-5-3-10(17(20)21)6-13(12)18(22)23/h2-8,16,19H,1H3
InChIKeyQEJWUNVLOVIBRP-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.66
Rot. Bonds6

About 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol

2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol (PubChem CID 4227419) has the molecular formula C14H12N4O6 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
PubChem CID4227419
Molecular FormulaC14H12N4O6
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC Name2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
SMILESCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H12N4O6/c1-24-11-4-2-9(14(19)7-11)8-15-16-12-5-3-10(17(20)21)6-13(12)18(22)23/h2-8,16,19H,1H3
InChIKeyQEJWUNVLOVIBRP-UHFFFAOYSA-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_A(479)', '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'}

Analyze 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029
2,4-dinitro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 5139236
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 135684837
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 3525992
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4050395
4-methoxy-2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135678800
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol (CID 4227419) is 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol is COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol?
The InChIKey is QEJWUNVLOVIBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O6/c1-24-11-4-2-9(14(19)7-11)8-15-16-12-5-3-10(17(20)21)6-13(12)18(22)23/h2-8,16,19H,1H3.
What are the key properties of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol?
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol 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-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol is sourced from PubChem (CID 4227419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).