2-bromo-1,4-dimethylbenzene

C8H9Br — CID 11121

IUPAC2-bromo-1,4-dimethylbenzene
SMILESCc1ccc(C)c(Br)c1
InChIInChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
InChIKeyQXISTPDUYKNPLU-UHFFFAOYSA-N
MW185.06 g/mol
LogP3.07
Rot. Bonds

About 2-bromo-1,4-dimethylbenzene

2-bromo-1,4-dimethylbenzene (PubChem CID 11121) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-1,4-dimethylbenzene
PubChem CID11121
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name2-bromo-1,4-dimethylbenzene
SMILESCc1ccc(C)c(Br)c1
InChIInChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
InChIKeyQXISTPDUYKNPLU-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethylbenzene?
The IUPAC name of 2-bromo-1,4-dimethylbenzene (CID 11121) is 2-bromo-1,4-dimethylbenzene.
What is the SMILES notation for 2-bromo-1,4-dimethylbenzene?
The canonical SMILES for 2-bromo-1,4-dimethylbenzene is Cc1ccc(C)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-dimethylbenzene?
The InChIKey is QXISTPDUYKNPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3.
What are the key properties of 2-bromo-1,4-dimethylbenzene?
2-bromo-1,4-dimethylbenzene has a molecular weight of 185.06 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-dimethylbenzene is sourced from PubChem (CID 11121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).