4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol

C15H14ClN3O4 — CID 135622238

IUPAC4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
SMILESCOc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14ClN3O4/c1-9-3-4-11(7-12(9)16)18-17-8-10-5-13(19(21)22)15(20)14(6-10)23-2/h3-8,18,20H,1-2H3/b17-8+
InChIKeyHUVKNIUPVJRROG-CAOOACKPSA-N
MW335.75 g/mol
LogP3.72
Rot. Bonds5

About 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol

4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol (PubChem CID 135622238) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
PubChem CID135622238
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
SMILESCOc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14ClN3O4/c1-9-3-4-11(7-12(9)16)18-17-8-10-5-13(19(21)22)15(20)14(6-10)23-2/h3-8,18,20H,1-2H3/b17-8+
InChIKeyHUVKNIUPVJRROG-CAOOACKPSA-N
XLogP3.72
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824
4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135593942
4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 4965646
3-chloro-N-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506514
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
4-[(E)-[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135608137
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
2-chloro-6-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589325
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 136873511
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
CID 137117281
N-(3,4-dimethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
CID 135813828
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
The IUPAC name of 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol (CID 135622238) is 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol is COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
The InChIKey is HUVKNIUPVJRROG-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-9-3-4-11(7-12(9)16)18-17-8-10-5-13(19(21)22)15(20)14(6-10)23-2/h3-8,18,20H,1-2H3/b17-8+.
What are the key properties of 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol has a molecular weight of 335.75 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol is sourced from PubChem (CID 135622238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).