1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene

C15H13BrCl2 — CID 114024870

IUPAC1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)cc2Br)c(C)c1
InChIInChI=1S/C15H13BrCl2/c1-9-3-5-12(10(2)7-9)15(18)13-6-4-11(17)8-14(13)16/h3-8,15H,1-2H3
InChIKeyPCZQWOGCYIEURD-UHFFFAOYSA-N
MW344.08 g/mol
LogP6.05
Rot. Bonds2

About 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene

1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene (PubChem CID 114024870) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
PubChem CID114024870
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)cc2Br)c(C)c1
InChIInChI=1S/C15H13BrCl2/c1-9-3-5-12(10(2)7-9)15(18)13-6-4-11(17)8-14(13)16/h3-8,15H,1-2H3
InChIKeyPCZQWOGCYIEURD-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 56.05
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-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432395
6-bromo-7-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433203
2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
CID 107992000
1-bromo-4-[(2-bromo-4-methylphenyl)-chloromethyl]-2-chloro-5-fluorobenzene
CID 105399598
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
3-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-methylthiophene
CID 107991928
2-bromo-1-[chloro-(2-fluoro-5-methylphenyl)methyl]-4-methoxybenzene
CID 55198729
2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
CID 107993440

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene (CID 114024870) is 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene is Cc1ccc(C(Cl)c2ccc(Cl)cc2Br)c(C)c1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene?
The InChIKey is PCZQWOGCYIEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-9-3-5-12(10(2)7-9)15(18)13-6-4-11(17)8-14(13)16/h3-8,15H,1-2H3.
What are the key properties of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene?
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene has a molecular weight of 344.08 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 114024870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).