2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol

C15H14N2O3 — CID 137173262

IUPAC2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)c(C)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(15(12)18)17(19)20/h3-9,18H,1-2H3/b16-9+
InChIKeyOITHSQSWQTZQLF-CXUHLZMHSA-N
MW270.29 g/mol
LogP3.67
Rot. Bonds3

About 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol

2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 137173262) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
PubChem CID137173262
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)c(C)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(15(12)18)17(19)20/h3-9,18H,1-2H3/b16-9+
InChIKeyOITHSQSWQTZQLF-CXUHLZMHSA-N
XLogP3.67
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.67
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

2-[(2,4-dimethylphenyl)iminomethyl]-4-methoxy-6-nitrophenol
CID 791892
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
2-[[4-(4-methylphenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172966
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
4-tert-butyl-2-chloro-6-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenolate
CID 135682524
3-[[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-nitrophenyl]iminomethyl]benzene-1,2-diol
CID 3111549
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenol
CID 1243589
2-nitro-6-(propyliminomethyl)phenol
CID 136693324
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol (CID 137173262) is 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol is Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is OITHSQSWQTZQLF-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(15(12)18)17(19)20/h3-9,18H,1-2H3/b16-9+.
What are the key properties of 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 270.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 137173262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).