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

C14H11ClN2O4 — CID 135595071

IUPAC4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
SMILESCOc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C14H11ClN2O4/c1-21-12-4-2-11(3-5-12)16-8-9-6-10(15)7-13(14(9)18)17(19)20/h2-8,18H,1H3/b16-8+
InChIKeyQSVUSJIEOMHAGD-LZYBPNLTSA-N
MW306.71 g/mol
LogP3.71
Rot. Bonds4

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

4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol (PubChem CID 135595071) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
PubChem CID135595071
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
SMILESCOc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C14H11ClN2O4/c1-21-12-4-2-11(3-5-12)16-8-9-6-10(15)7-13(14(9)18)17(19)20/h2-8,18H,1H3/b16-8+
InChIKeyQSVUSJIEOMHAGD-LZYBPNLTSA-N
XLogP3.71
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
dimethyl 5-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595460
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
butyl 4-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 171978836
3-(5-chloro-2-hydroxy-3-nitrophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54271531
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957570
4-chloro-2-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
4-chloro-2-[(3,5-dimethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7606032
4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
4-chloro-2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]iminomethyl]-6-nitrophenol
CID 135774266
4-chloro-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7983562

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol (CID 135595071) is 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol is COc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1.
What is the InChIKey of 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is QSVUSJIEOMHAGD-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-12-4-2-11(3-5-12)16-8-9-6-10(15)7-13(14(9)18)17(19)20/h2-8,18H,1H3/b16-8+.
What are the key properties of 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 306.71 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 135595071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).