2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene

C14H10Cl4O2 — CID 22026452

IUPAC2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene
SMILESClc1ccc(COOCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4O2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2
InChIKeyVLEHKYDBUSECFA-UHFFFAOYSA-N
MW352.04 g/mol
LogP5.95
Rot. Bonds5

About 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene

2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene (PubChem CID 22026452) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene
PubChem CID22026452
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene
SMILESClc1ccc(COOCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4O2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2
InChIKeyVLEHKYDBUSECFA-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.04
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene (CID 22026452) is 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene is Clc1ccc(COOCc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene?
The InChIKey is VLEHKYDBUSECFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2.
What are the key properties of 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene?
2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene has a molecular weight of 352.04 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(2,4-dichlorophenyl)methylperoxymethyl]benzene is sourced from PubChem (CID 22026452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).