2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene

C15H13Br2Cl — CID 107991658

IUPAC2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
SMILESCc1ccc(C)c(C(Br)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H13Br2Cl/c1-9-3-4-10(2)12(7-9)15(17)11-5-6-14(18)13(16)8-11/h3-8,15H,1-2H3
InChIKeyJNXIIMVKRBIECT-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.20
Rot. Bonds2

About 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene

2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene (PubChem CID 107991658) has the molecular formula C15H13Br2Cl and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
PubChem CID107991658
Molecular FormulaC15H13Br2Cl
Molecular Weight388.53 g/mol
Exact Mass385.91
IUPAC Name2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
SMILESCc1ccc(C)c(C(Br)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H13Br2Cl/c1-9-3-4-10(2)12(7-9)15(17)11-5-6-14(18)13(16)8-11/h3-8,15H,1-2H3
InChIKeyJNXIIMVKRBIECT-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.20
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

2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106863207
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 81307571
5-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144437
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248
2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
CID 107991611
[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105261045
2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
CID 107991605

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene (CID 107991658) is 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene is Cc1ccc(C)c(C(Br)c2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene?
The InChIKey is JNXIIMVKRBIECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl/c1-9-3-4-10(2)12(7-9)15(17)11-5-6-14(18)13(16)8-11/h3-8,15H,1-2H3.
What are the key properties of 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene?
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene has a molecular weight of 388.53 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene is sourced from PubChem (CID 107991658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).