1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene

C11H13Br3 — CID 81474215

IUPAC1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)C(C)C)cc1Br
InChIInChI=1S/C11H13Br3/c1-6(2)11(14)8-5-9(12)7(3)4-10(8)13/h4-6,11H,1-3H3
InChIKeyBSQCGJVOOIRCDE-UHFFFAOYSA-N
MW384.94 g/mol
LogP5.61
Rot. Bonds2

About 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene

1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene (PubChem CID 81474215) has the molecular formula C11H13Br3 and a molecular weight of 384.94 g/mol. Its IUPAC name is 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
PubChem CID81474215
Molecular FormulaC11H13Br3
Molecular Weight384.94 g/mol
Exact Mass381.86
IUPAC Name1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)C(C)C)cc1Br
InChIInChI=1S/C11H13Br3/c1-6(2)11(14)8-5-9(12)7(3)4-10(8)13/h4-6,11H,1-3H3
InChIKeyBSQCGJVOOIRCDE-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.94
LogP ≤ 55.61
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

1,4-dibromo-2-(1-bromobutyl)-5-methylbenzene
CID 81473463
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene
CID 81472982
1,4-dibromo-2-[bromo-(3-bromophenyl)methyl]-5-methylbenzene
CID 81470930
1,4-dibromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]-5-methylbenzene
CID 81470322
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
1,4-dibromo-2-(1-chloro-2,2,2-trifluoroethyl)-5-methylbenzene
CID 81473344
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
CID 114020889
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene?
The IUPAC name of 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene (CID 81474215) is 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene is Cc1cc(Br)c(C(Br)C(C)C)cc1Br.
What is the InChIKey of 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene?
The InChIKey is BSQCGJVOOIRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br3/c1-6(2)11(14)8-5-9(12)7(3)4-10(8)13/h4-6,11H,1-3H3.
What are the key properties of 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene?
1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene has a molecular weight of 384.94 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene is sourced from PubChem (CID 81474215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).