1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene

C14H18Br2 — CID 103165895

IUPAC1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
SMILESCc1cc(C(Br)CC2CCC2)c(C)cc1Br
InChIInChI=1S/C14H18Br2/c1-9-7-13(15)10(2)6-12(9)14(16)8-11-4-3-5-11/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyKKFXEAPDPFVPHV-UHFFFAOYSA-N
MW346.11 g/mol
LogP5.69
Rot. Bonds3

About 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene

1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene (PubChem CID 103165895) has the molecular formula C14H18Br2 and a molecular weight of 346.11 g/mol. Its IUPAC name is 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
PubChem CID103165895
Molecular FormulaC14H18Br2
Molecular Weight346.11 g/mol
Exact Mass343.98
IUPAC Name1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
SMILESCc1cc(C(Br)CC2CCC2)c(C)cc1Br
InChIInChI=1S/C14H18Br2/c1-9-7-13(15)10(2)6-12(9)14(16)8-11-4-3-5-11/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyKKFXEAPDPFVPHV-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.11
LogP ≤ 55.69
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-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
1-bromo-3-(1-bromo-2-cyclobutylethyl)-4-methoxy-2,5-dimethylbenzene
CID 103166023
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
CID 103165898
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
CID 103166063
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one
CID 103165874
[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
CID 107182405

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene (CID 103165895) is 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene is Cc1cc(C(Br)CC2CCC2)c(C)cc1Br.
What is the InChIKey of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene?
The InChIKey is KKFXEAPDPFVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2/c1-9-7-13(15)10(2)6-12(9)14(16)8-11-4-3-5-11/h6-7,11,14H,3-5,8H2,1-2H3.
What are the key properties of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene?
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene has a molecular weight of 346.11 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene is sourced from PubChem (CID 103165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).