2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene

C14H8Cl6O2 — CID 174946980

IUPAC2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
SMILESC1=CC(=C(C=C1Cl)Cl)C(OOC(C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
InChIInChI=1S/C14H8Cl6O2/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H
InChIKeySXZGNPFSVOWJAP-UHFFFAOYSA-N
MW420.90 g/mol
LogP7.10
Rot. Bonds5

About 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene

2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene (PubChem CID 174946980) has the molecular formula C14H8Cl6O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene.

Molecular Properties

Compound Name2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
PubChem CID174946980
Molecular FormulaC14H8Cl6O2
Molecular Weight420.90 g/mol
Exact Mass419.86
IUPAC Name2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
SMILESC1=CC(=C(C=C1Cl)Cl)C(OOC(C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
InChIInChI=1S/C14H8Cl6O2/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H
InChIKeySXZGNPFSVOWJAP-UHFFFAOYSA-N
XLogP7.10
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity315

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chlorfenvinphos
CID 10107
alpha-Chlorfenvinphos
CID 5377791
cis-Chlorfenvinphos
CID 5377784
Dimethylvinphos, (Z)-
CID 6433329
Ether, bis(2,6-dichlorobenzyl)
CID 52735
Dimethylvinphos
CID 16769
O-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 2764014
Bis(p-chlorobenzyl) ether
CID 41869
O-(2,4-Dichlorobenzyl)hydroxylamine
CID 468125
Dimethylvinphos, (E)-
CID 12573513
2,4-Dichloro-1-(((2,4-dichlorophenyl)methoxy)methyl)benzene
CID 7021468
3,6-Bis(4-chlorophenyl)-1,2,4,5-tetraoxane
CID 12646342

Frequently Asked Questions

What is the IUPAC name of 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene?
The IUPAC name of 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene (CID 174946980) is 2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene.
What is the SMILES notation for 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene?
The canonical SMILES for 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene is C1=CC(=C(C=C1Cl)Cl)C(OOC(C2=C(C=C(C=C2)Cl)Cl)Cl)Cl.
What is the InChIKey of 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene?
The InChIKey is SXZGNPFSVOWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl6O2/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H.
What are the key properties of 2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene?
2,4-Dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene has a molecular weight of 420.90 g/mol, XLogP of 7.10, 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-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene is sourced from PubChem (CID 174946980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).