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

C16H16N2O3 — CID 902425

IUPAC2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
SMILESCc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)c(C)c1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-15(11(2)6-10)17-9-13-8-14(18(20)21)7-12(3)16(13)19/h4-9,19H,1-3H3/b17-9+
InChIKeyNGUCZPJIMCCELT-RQZCQDPDSA-N
MW284.32 g/mol
LogP3.98
Rot. Bonds3

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

2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol (PubChem CID 902425) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
PubChem CID902425
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
SMILESCc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)c(C)c1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-15(11(2)6-10)17-9-13-8-14(18(20)21)7-12(3)16(13)19/h4-9,19H,1-3H3/b17-9+
InChIKeyNGUCZPJIMCCELT-RQZCQDPDSA-N
XLogP3.98
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.98
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]-6-nitrophenol
CID 137173262
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2-[(2,4-dimethylphenyl)iminomethyl]-4-methoxy-6-nitrophenol
CID 791892
2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
CID 3664795
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-chloro-N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 135554740
4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3905059
2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
CID 137138148
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate
CID 135816541

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol?
The IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol (CID 902425) is 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol?
The canonical SMILES for 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol is Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol?
The InChIKey is NGUCZPJIMCCELT-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-5-15(11(2)6-10)17-9-13-8-14(18(20)21)7-12(3)16(13)19/h4-9,19H,1-3H3/b17-9+.
What are the key properties of 2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol?
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol has a molecular weight of 284.32 g/mol, XLogP of 3.98, 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-methyl-4-nitrophenol is sourced from PubChem (CID 902425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).