4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol

C14H11ClN2O3 — CID 690140

IUPAC4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C14H11ClN2O3/c1-9-2-4-12(5-3-9)16-8-10-6-11(15)7-13(14(10)18)17(19)20/h2-8,18H,1H3/b16-8+
InChIKeyUFODXBNVDJSWAB-LZYBPNLTSA-N
MW290.71 g/mol
LogP4.01
Rot. Bonds3

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

4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 690140) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol
PubChem CID690140
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C14H11ClN2O3/c1-9-2-4-12(5-3-9)16-8-10-6-11(15)7-13(14(10)18)17(19)20/h2-8,18H,1H3/b16-8+
InChIKeyUFODXBNVDJSWAB-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol (CID 690140) is 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol is Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1.
What is the InChIKey of 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is UFODXBNVDJSWAB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-9-2-4-12(5-3-9)16-8-10-6-11(15)7-13(14(10)18)17(19)20/h2-8,18H,1H3/b16-8+.
What are the key properties of 4-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(4-methylphenyl)iminomethyl]-6-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-chloro-2-[(4-methylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 690140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).