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
SMILESClc1ccc(C(Cl)OOC(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1
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
MW420.93 g/mol
LogP7.42
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 420.93 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 Weight420.93 g/mol
Exact Mass417.87
IUPAC Name2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
SMILESClc1ccc(C(Cl)OOC(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1
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
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.93
LogP ≤ 57.42
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'}

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Related Compounds

1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
CID 18427160
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981

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 Clc1ccc(C(Cl)OOC(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1.
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 420.93 g/mol, XLogP of 7.42, 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).