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

C15H13ClN2O3 — CID 689270

IUPAC4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(C)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-13(10(2)5-9)17-8-11-6-12(16)7-14(15(11)19)18(20)21/h3-8,19H,1-2H3/b17-8+
InChIKeyIJCRUPTZMAFAIM-CAOOACKPSA-N
MW304.73 g/mol
LogP4.32
Rot. Bonds3

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

4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 689270) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
PubChem CID689270
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(C)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-13(10(2)5-9)17-8-11-6-12(16)7-14(15(11)19)18(20)21/h3-8,19H,1-2H3/b17-8+
InChIKeyIJCRUPTZMAFAIM-CAOOACKPSA-N
XLogP4.32
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.32
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'}

Analyze 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol (CID 689270) is 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol is Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(C)c1.
What is the InChIKey of 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is IJCRUPTZMAFAIM-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-3-4-13(10(2)5-9)17-8-11-6-12(16)7-14(15(11)19)18(20)21/h3-8,19H,1-2H3/b17-8+.
What are the key properties of 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 304.73 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 689270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).