4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline

C16H9Cl4NO — CID 134141110

IUPAC4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline
SMILESClc1ccc(Oc2cc(C(Cl)(Cl)Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H9Cl4NO/c17-10-5-7-11(8-6-10)22-14-9-15(16(18,19)20)21-13-4-2-1-3-12(13)14/h1-9H
InChIKeyZKHDKSVROILDBS-UHFFFAOYSA-N
MW373.07 g/mol
LogP6.51
Rot. Bonds2

About 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline

4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline (PubChem CID 134141110) has the molecular formula C16H9Cl4NO and a molecular weight of 373.07 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline
PubChem CID134141110
Molecular FormulaC16H9Cl4NO
Molecular Weight373.07 g/mol
Exact Mass370.94
IUPAC Name4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline
SMILESClc1ccc(Oc2cc(C(Cl)(Cl)Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H9Cl4NO/c17-10-5-7-11(8-6-10)22-14-9-15(16(18,19)20)21-13-4-2-1-3-12(13)14/h1-9H
InChIKeyZKHDKSVROILDBS-UHFFFAOYSA-N
XLogP6.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.07
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline?
The IUPAC name of 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline (CID 134141110) is 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline?
The canonical SMILES for 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline is Clc1ccc(Oc2cc(C(Cl)(Cl)Cl)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline?
The InChIKey is ZKHDKSVROILDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl4NO/c17-10-5-7-11(8-6-10)22-14-9-15(16(18,19)20)21-13-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline?
4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline has a molecular weight of 373.07 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-(trichloromethyl)quinoline is sourced from PubChem (CID 134141110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).