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

C14H19Br — CID 63543949

IUPAC4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)C2CCC2)cc1C
InChIInChI=1S/C14H19Br/c1-10-6-7-12(8-11(10)2)9-14(15)13-4-3-5-13/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyDFXHMAVFPXFPEY-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.41
Rot. Bonds3

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

4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene (PubChem CID 63543949) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
PubChem CID63543949
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)C2CCC2)cc1C
InChIInChI=1S/C14H19Br/c1-10-6-7-12(8-11(10)2)9-14(15)13-4-3-5-13/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyDFXHMAVFPXFPEY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.41
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

3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]thiolane 1,1-dioxide
CID 64903969
4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
CID 63543771
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
1-(2-bromo-2-cyclobutylethyl)-4-fluorobenzene
CID 63018171
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159334
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene (CID 63543949) is 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene is Cc1ccc(CC(Br)C2CCC2)cc1C.
What is the InChIKey of 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene?
The InChIKey is DFXHMAVFPXFPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10-6-7-12(8-11(10)2)9-14(15)13-4-3-5-13/h6-8,13-14H,3-5,9H2,1-2H3.
What are the key properties of 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene?
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63543949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).