1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene

C14H10Cl4O2 — CID 18427160

IUPAC1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
SMILESClc1ccccc1C(Cl)OOC(Cl)c1ccccc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8,13-14H
InChIKeyAUPLIYWVBACEEU-UHFFFAOYSA-N
MW352.04 g/mol
LogP6.12
Rot. Bonds5

About 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene

1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene (PubChem CID 18427160) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
PubChem CID18427160
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
SMILESClc1ccccc1C(Cl)OOC(Cl)c1ccccc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8,13-14H
InChIKeyAUPLIYWVBACEEU-UHFFFAOYSA-N
XLogP6.12
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 ≤ 56.12
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-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
CID 20511059
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
1-chloro-2-(1,2-dichloroethyl)benzene
CID 14832347
[chloro-(2-chlorophenyl)methyl]hydrazine
CID 70089531
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
1,1,2-trichloro-2-(2-chlorophenyl)ethanol
CID 22614151
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
CID 88515182
CID 88515182
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene?
The IUPAC name of 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene (CID 18427160) is 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene.
What is the SMILES notation for 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene?
The canonical SMILES for 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene is Clc1ccccc1C(Cl)OOC(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene?
The InChIKey is AUPLIYWVBACEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8,13-14H.
What are the key properties of 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene?
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene has a molecular weight of 352.04 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene is sourced from PubChem (CID 18427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).