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

C13H7Cl5 — CID 63436201

IUPAC1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl5/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6,13H
InChIKeyUHBCEOBJFZPOIQ-UHFFFAOYSA-N
MW340.46 g/mol
LogP6.63
Rot. Bonds2

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

1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene (PubChem CID 63436201) has the molecular formula C13H7Cl5 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
PubChem CID63436201
Molecular FormulaC13H7Cl5
Molecular Weight340.46 g/mol
Exact Mass337.90
IUPAC Name1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl5/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6,13H
InChIKeyUHBCEOBJFZPOIQ-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene (CID 63436201) is 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene is Clc1ccc(C(Cl)c2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene?
The InChIKey is UHBCEOBJFZPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6,13H.
What are the key properties of 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene?
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene has a molecular weight of 340.46 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene is sourced from PubChem (CID 63436201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).