1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene

C15H13Cl3 — CID 113319612

IUPAC1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Cl)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H13Cl3/c1-9-7-13(14(17)8-10(9)2)15(18)11-3-5-12(16)6-4-11/h3-8,15H,1-2H3
InChIKeyUAJXZKWYWCHABK-UHFFFAOYSA-N
MW299.63 g/mol
LogP5.94
Rot. Bonds2

About 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene

1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene (PubChem CID 113319612) has the molecular formula C15H13Cl3 and a molecular weight of 299.63 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
PubChem CID113319612
Molecular FormulaC15H13Cl3
Molecular Weight299.63 g/mol
Exact Mass298.01
IUPAC Name1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Cl)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H13Cl3/c1-9-7-13(14(17)8-10(9)2)15(18)11-3-5-12(16)6-4-11/h3-8,15H,1-2H3
InChIKeyUAJXZKWYWCHABK-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.63
LogP ≤ 55.94
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

4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
1-chloro-2-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-4,5-dimethylbenzene
CID 82816424
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
1-chloro-2-[chloro-(4-methylphenyl)methyl]-4,5-difluorobenzene
CID 107477447
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene (CID 113319612) is 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene is Cc1cc(Cl)c(C(Cl)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene?
The InChIKey is UAJXZKWYWCHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3/c1-9-7-13(14(17)8-10(9)2)15(18)11-3-5-12(16)6-4-11/h3-8,15H,1-2H3.
What are the key properties of 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene?
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene has a molecular weight of 299.63 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene is sourced from PubChem (CID 113319612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).