4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene

C12H17Br — CID 63436116

IUPAC4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(Br)C(C)C)cc1C
InChIInChI=1S/C12H17Br/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3
InChIKeyNJXGKSBYDLNCCA-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.40
Rot. Bonds2

About 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene

4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene (PubChem CID 63436116) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
PubChem CID63436116
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(Br)C(C)C)cc1C
InChIInChI=1S/C12H17Br/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3
InChIKeyNJXGKSBYDLNCCA-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.40
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

4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
4-(1-bromo-3,4,4-trimethylpentyl)-1,2-dimethylbenzene
CID 63832623
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
2-[bromo-(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55197972
3-[bromo-(3,4-dimethylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442265
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
CID 79617741
[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium
CID 59124075
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene (CID 63436116) is 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene is Cc1ccc(C(Br)C(C)C)cc1C.
What is the InChIKey of 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene?
The InChIKey is NJXGKSBYDLNCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3.
What are the key properties of 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene?
4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene has a molecular weight of 241.17 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63436116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).