4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol

C14H11ClN2O3 — CID 137100120

IUPAC4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
SMILESCc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-9-2-4-11(7-12(9)15)16-8-10-3-5-14(18)13(6-10)17(19)20/h2-8,18H,1H3/b16-8+
InChIKeyAJTDXAPOIGGUNJ-LZYBPNLTSA-N
MW290.71 g/mol
LogP4.01
Rot. Bonds3

About 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol

4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol (PubChem CID 137100120) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
PubChem CID137100120
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
SMILESCc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-9-2-4-11(7-12(9)15)16-8-10-3-5-14(18)13(6-10)17(19)20/h2-8,18H,1H3/b16-8+
InChIKeyAJTDXAPOIGGUNJ-LZYBPNLTSA-N
XLogP4.01
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
methyl 4-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 137171985
N-(3-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 137149795

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol?
The IUPAC name of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol (CID 137100120) is 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol.
What is the SMILES notation for 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol?
The canonical SMILES for 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol is Cc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol?
The InChIKey is AJTDXAPOIGGUNJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-9-2-4-11(7-12(9)15)16-8-10-3-5-14(18)13(6-10)17(19)20/h2-8,18H,1H3/b16-8+.
What are the key properties of 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol?
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol has a molecular weight of 290.71 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol is sourced from PubChem (CID 137100120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).