2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline

C15H8Cl4N2O — CID 134149467

IUPAC2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline
SMILESClc1ccc(Oc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H8Cl4N2O/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyKGHJEWSUQUJRTQ-UHFFFAOYSA-N
MW374.05 g/mol
LogP5.90
Rot. Bonds2

About 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline

2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline (PubChem CID 134149467) has the molecular formula C15H8Cl4N2O and a molecular weight of 374.05 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline
PubChem CID134149467
Molecular FormulaC15H8Cl4N2O
Molecular Weight374.05 g/mol
Exact Mass371.94
IUPAC Name2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline
SMILESClc1ccc(Oc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H8Cl4N2O/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyKGHJEWSUQUJRTQ-UHFFFAOYSA-N
XLogP5.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chlorophenoxy)quinoxaline
CID 4269635
2-Phenoxyquinoxaline
CID 3734282
2-(4-Methoxyphenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470962
2-[(3-Chlorophenyl)methoxy]-3-methylquinoxaline
CID 2542826
2-(4-Chlorophenoxy)quinoxaline
CID 4680946
4-(4-Chlorophenoxy)pyrrolo[1,2-a]quinoxaline
CID 1471612
2-(3-Chlorophenoxy)quinoxaline
CID 3492159
2-(4-Chlorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853596
2-Chloro-3-(2-phenoxyethoxy)quinoxaline
CID 22036340
2-(4-Chloro-3-fluorophenoxy)-3-methylquinoxaline
CID 1491208
2-Chloro-5-methoxy-3-methylquinoxaline
CID 89428907
2-(4-Chloro-2,3,5-trifluorophenoxy)quinoxaline
CID 139233546

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline (CID 134149467) is 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline is Clc1ccc(Oc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline?
The InChIKey is KGHJEWSUQUJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4N2O/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H.
What are the key properties of 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline?
2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline has a molecular weight of 374.05 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 134149467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).