1-(2-bromocyclopropyl)-2,4-dimethylbenzene

C11H13Br — CID 130539902

IUPAC1-(2-bromocyclopropyl)-2,4-dimethylbenzene
SMILESCc1ccc(C2CC2Br)c(C)c1
InChIInChI=1S/C11H13Br/c1-7-3-4-9(8(2)5-7)10-6-11(10)12/h3-5,10-11H,6H2,1-2H3
InChIKeyCLIYGZLQADMRPU-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.55
Rot. Bonds1

About 1-(2-bromocyclopropyl)-2,4-dimethylbenzene

1-(2-bromocyclopropyl)-2,4-dimethylbenzene (PubChem CID 130539902) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-(2-bromocyclopropyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2-bromocyclopropyl)-2,4-dimethylbenzene
PubChem CID130539902
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name1-(2-bromocyclopropyl)-2,4-dimethylbenzene
SMILESCc1ccc(C2CC2Br)c(C)c1
InChIInChI=1S/C11H13Br/c1-7-3-4-9(8(2)5-7)10-6-11(10)12/h3-5,10-11H,6H2,1-2H3
InChIKeyCLIYGZLQADMRPU-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.55
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

2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile
CID 116836914
1-(2,4-dimethylcyclohexyl)-2,4-dimethylbenzene
CID 23529825
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
1-(3-bromocyclohexyl)-2,4-dimethylbenzene
CID 64509176
N-(cyclopropylmethyl)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 135160107
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
4-(2,4-dimethylphenyl)-2,6-dimethylpiperidine
CID 142342615
[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
CID 81011171
(1S,3R,4S)-4-(2,4-dimethylphenyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 720604
3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 142240358

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopropyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(2-bromocyclopropyl)-2,4-dimethylbenzene (CID 130539902) is 1-(2-bromocyclopropyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2-bromocyclopropyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2-bromocyclopropyl)-2,4-dimethylbenzene is Cc1ccc(C2CC2Br)c(C)c1.
What is the InChIKey of 1-(2-bromocyclopropyl)-2,4-dimethylbenzene?
The InChIKey is CLIYGZLQADMRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c1-7-3-4-9(8(2)5-7)10-6-11(10)12/h3-5,10-11H,6H2,1-2H3.
What are the key properties of 1-(2-bromocyclopropyl)-2,4-dimethylbenzene?
1-(2-bromocyclopropyl)-2,4-dimethylbenzene has a molecular weight of 225.13 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopropyl)-2,4-dimethylbenzene is sourced from PubChem (CID 130539902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).