1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene

C17H25Br — CID 63438485

IUPAC1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)CCC2CCCCC2)c(C)c1
InChIInChI=1S/C17H25Br/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h8,10,12,15,17H,3-7,9,11H2,1-2H3
InChIKeyUQCDHORKWDJTIW-UHFFFAOYSA-N
MW309.29 g/mol
LogP6.10
Rot. Bonds4

About 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene

1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene (PubChem CID 63438485) has the molecular formula C17H25Br and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
PubChem CID63438485
Molecular FormulaC17H25Br
Molecular Weight309.29 g/mol
Exact Mass308.11
IUPAC Name1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)CCC2CCCCC2)c(C)c1
InChIInChI=1S/C17H25Br/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h8,10,12,15,17H,3-7,9,11H2,1-2H3
InChIKeyUQCDHORKWDJTIW-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.29
LogP ≤ 56.10
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-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
CID 63441829
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
CID 55200090
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
1-(1-bromo-3-cyclohexylpropyl)-2,3,4,5,6-pentamethylbenzene
CID 63437996
4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
CID 63442742
4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990513

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene (CID 63438485) is 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene is Cc1ccc(C(Br)CCC2CCCCC2)c(C)c1.
What is the InChIKey of 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene?
The InChIKey is UQCDHORKWDJTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h8,10,12,15,17H,3-7,9,11H2,1-2H3.
What are the key properties of 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene?
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene has a molecular weight of 309.29 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene is sourced from PubChem (CID 63438485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).