2-(2,3,4,5-tetrachlorophenyl)oxirane

C8H4Cl4O — CID 22906676

IUPAC2-(2,3,4,5-tetrachlorophenyl)oxirane
SMILESClc1cc(C2CO2)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H4Cl4O/c9-4-1-3(5-2-13-5)6(10)8(12)7(4)11/h1,5H,2H2
InChIKeyARXKQDCZOCQJAL-UHFFFAOYSA-N
MW257.93 g/mol
LogP4.37
Rot. Bonds1

About 2-(2,3,4,5-tetrachlorophenyl)oxirane

2-(2,3,4,5-tetrachlorophenyl)oxirane (PubChem CID 22906676) has the molecular formula C8H4Cl4O and a molecular weight of 257.93 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrachlorophenyl)oxirane.

Molecular Properties

Compound Name2-(2,3,4,5-tetrachlorophenyl)oxirane
PubChem CID22906676
Molecular FormulaC8H4Cl4O
Molecular Weight257.93 g/mol
Exact Mass255.90
IUPAC Name2-(2,3,4,5-tetrachlorophenyl)oxirane
SMILESClc1cc(C2CO2)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H4Cl4O/c9-4-1-3(5-2-13-5)6(10)8(12)7(4)11/h1,5H,2H2
InChIKeyARXKQDCZOCQJAL-UHFFFAOYSA-N
XLogP4.37
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.93
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Tridiphane
CID 73669
4-Chlorostyrene oxide
CID 197010
2-(3-Chlorophenyl)oxirane
CID 155613
(2,4-Dichlorophenyl)oxirane
CID 114557
2-(2-Chlorophenyl)oxirane
CID 560709
(R)-(+)-3-Chlorostyrene oxide
CID 10898919
(2R)-2-(2-chlorophenyl)oxirane
CID 12035191
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
2,4,5-Trichlorophenylethanol
CID 518920
4-Chlorostyrene oxide, (R)-
CID 10130074
(2R)-2-(3,4-dichlorophenyl)oxirane
CID 10352473
2-(3,4-Dichloro-phenyl)-oxirane
CID 13521714

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrachlorophenyl)oxirane?
The IUPAC name of 2-(2,3,4,5-tetrachlorophenyl)oxirane (CID 22906676) is 2-(2,3,4,5-tetrachlorophenyl)oxirane.
What is the SMILES notation for 2-(2,3,4,5-tetrachlorophenyl)oxirane?
The canonical SMILES for 2-(2,3,4,5-tetrachlorophenyl)oxirane is Clc1cc(C2CO2)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3,4,5-tetrachlorophenyl)oxirane?
The InChIKey is ARXKQDCZOCQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl4O/c9-4-1-3(5-2-13-5)6(10)8(12)7(4)11/h1,5H,2H2.
What are the key properties of 2-(2,3,4,5-tetrachlorophenyl)oxirane?
2-(2,3,4,5-tetrachlorophenyl)oxirane has a molecular weight of 257.93 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrachlorophenyl)oxirane is sourced from PubChem (CID 22906676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).