1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene

C13H8Cl4 — CID 63436332

IUPAC1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
SMILESClc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H8Cl4/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7,13H
InChIKeyIZSUTYGBUGDRKH-UHFFFAOYSA-N
MW306.02 g/mol
LogP5.97
Rot. Bonds2

About 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene

1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene (PubChem CID 63436332) has the molecular formula C13H8Cl4 and a molecular weight of 306.02 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
PubChem CID63436332
Molecular FormulaC13H8Cl4
Molecular Weight306.02 g/mol
Exact Mass303.94
IUPAC Name1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
SMILESClc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H8Cl4/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7,13H
InChIKeyIZSUTYGBUGDRKH-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.02
LogP ≤ 55.97
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-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
CID 63436864
1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 81295695
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
CID 81461610
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
6-[chloro-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433969
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
CID 107964544

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene (CID 63436332) is 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene is Clc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene?
The InChIKey is IZSUTYGBUGDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7,13H.
What are the key properties of 1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene?
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene has a molecular weight of 306.02 g/mol, XLogP of 5.97, 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-(3-chlorophenyl)methyl]benzene is sourced from PubChem (CID 63436332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).