(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate

C14H8Cl4O4 — CID 57171249

IUPAC(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
SMILESO=C(COc1ccc(Cl)cc1Cl)OOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O4/c15-8-1-3-12(10(17)5-8)20-7-14(19)22-21-13-4-2-9(16)6-11(13)18/h1-6H,7H2
InChIKeyZXMUSPPUDYVXEV-UHFFFAOYSA-N
MW382.03 g/mol
LogP5.22
Rot. Bonds5

About (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate

(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate (PubChem CID 57171249) has the molecular formula C14H8Cl4O4 and a molecular weight of 382.03 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
PubChem CID57171249
Molecular FormulaC14H8Cl4O4
Molecular Weight382.03 g/mol
Exact Mass379.92
IUPAC Name(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
SMILESO=C(COc1ccc(Cl)cc1Cl)OOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O4/c15-8-1-3-12(10(17)5-8)20-7-14(19)22-21-13-4-2-9(16)6-11(13)18/h1-6H,7H2
InChIKeyZXMUSPPUDYVXEV-UHFFFAOYSA-N
XLogP5.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate?
The IUPAC name of (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate (CID 57171249) is (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate.
What is the SMILES notation for (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate?
The canonical SMILES for (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate is O=C(COc1ccc(Cl)cc1Cl)OOc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate?
The InChIKey is ZXMUSPPUDYVXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O4/c15-8-1-3-12(10(17)5-8)20-7-14(19)22-21-13-4-2-9(16)6-11(13)18/h1-6H,7H2.
What are the key properties of (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate?
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate has a molecular weight of 382.03 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate is sourced from PubChem (CID 57171249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).