4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol

C15H14N2O3 — CID 137171984

IUPAC4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
SMILESCc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H14N2O3/c1-10-3-5-13(7-11(10)2)16-9-12-4-6-15(18)14(8-12)17(19)20/h3-9,18H,1-2H3/b16-9+
InChIKeyFCNFSLKMSYEPJT-CXUHLZMHSA-N
MW270.29 g/mol
LogP3.67
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol

4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol (PubChem CID 137171984) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
PubChem CID137171984
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
SMILESCc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H14N2O3/c1-10-3-5-13(7-11(10)2)16-9-12-4-6-15(18)14(8-12)17(19)20/h3-9,18H,1-2H3/b16-9+
InChIKeyFCNFSLKMSYEPJT-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

4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
methyl 4-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 137171985
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
2-nitro-4-(quinolin-6-yliminomethyl)phenol
CID 137050517
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
1-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218592
1-[3-bromo-4-(2,4-dinitrophenoxy)phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217525
4-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenol
CID 136832238
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol?
The IUPAC name of 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol (CID 137171984) is 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol?
The canonical SMILES for 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol is Cc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol?
The InChIKey is FCNFSLKMSYEPJT-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-5-13(7-11(10)2)16-9-12-4-6-15(18)14(8-12)17(19)20/h3-9,18H,1-2H3/b16-9+.
What are the key properties of 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol?
4-[(3,4-dimethylphenyl)iminomethyl]-2-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 4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol is sourced from PubChem (CID 137171984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).