1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene

C12H4Cl6O2 — CID 151760298

IUPAC1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene
SMILESClc1ccccc1OOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O2/c13-5-3-1-2-4-6(5)19-20-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKeyRQKMLKWSAMADRD-UHFFFAOYSA-N
MW392.88 g/mol
LogP6.98
Rot. Bonds3

About 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene

1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene (PubChem CID 151760298) has the molecular formula C12H4Cl6O2 and a molecular weight of 392.88 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene
PubChem CID151760298
Molecular FormulaC12H4Cl6O2
Molecular Weight392.88 g/mol
Exact Mass389.83
IUPAC Name1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene
SMILESClc1ccccc1OOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O2/c13-5-3-1-2-4-6(5)19-20-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKeyRQKMLKWSAMADRD-UHFFFAOYSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene 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

1-chloro-2-methoxybenzene
CID 13011
(2-chlorophenyl) ethaneperoxoate
CID 23043492
(2-chlorophenoxy) dihydrogen phosphate
CID 175260184
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
1-chloro-2-(dichloroamino)oxybenzene
CID 174531123
1-chloro-2-(trideuteriomethoxy)benzene
CID 162343627
(2-chlorophenyl) dihydrogen phosphite
CID 22639248
azane;1-chloro-2-phenoxybenzene
CID 68980819
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[4-chloro-2-(2-chlorophenoxy)-1,3-thiazol-5-yl]methanamine
CID 117258710
1,2-dichlorobenzene;naphthalene
CID 162050769
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene (CID 151760298) is 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene is Clc1ccccc1OOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene?
The InChIKey is RQKMLKWSAMADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6O2/c13-5-3-1-2-4-6(5)19-20-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H.
What are the key properties of 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene?
1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene has a molecular weight of 392.88 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-(2-chlorophenyl)peroxybenzene is sourced from PubChem (CID 151760298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).