1-bromo-2-cyclohexyl-4-methylbenzene

C13H17Br — CID 117104268

IUPAC1-bromo-2-cyclohexyl-4-methylbenzene
SMILESCc1ccc(Br)c(C2CCCCC2)c1
InChIInChI=1S/C13H17Br/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyFRUSIQBPMGJKFK-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.81
Rot. Bonds1

About 1-bromo-2-cyclohexyl-4-methylbenzene

1-bromo-2-cyclohexyl-4-methylbenzene (PubChem CID 117104268) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-2-cyclohexyl-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-cyclohexyl-4-methylbenzene
PubChem CID117104268
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-bromo-2-cyclohexyl-4-methylbenzene
SMILESCc1ccc(Br)c(C2CCCCC2)c1
InChIInChI=1S/C13H17Br/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyFRUSIQBPMGJKFK-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole
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1-bromo-3-(2-fluoro-5-methylphenyl)cycloheptane
CID 64507624
1-bromo-4-cycloheptylnaphthalene
CID 91324562
1-(3-bromo-4-cyclohexylphenyl)ethanamine
CID 117453319
1-(3-bromo-4-cyclopentylphenyl)ethanamine
CID 83844709
5-cyclohexyl-1,3-dimethylnaphthalene
CID 153456368
2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide
CID 88821051

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclohexyl-4-methylbenzene?
The IUPAC name of 1-bromo-2-cyclohexyl-4-methylbenzene (CID 117104268) is 1-bromo-2-cyclohexyl-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-cyclohexyl-4-methylbenzene?
The canonical SMILES for 1-bromo-2-cyclohexyl-4-methylbenzene is Cc1ccc(Br)c(C2CCCCC2)c1.
What is the InChIKey of 1-bromo-2-cyclohexyl-4-methylbenzene?
The InChIKey is FRUSIQBPMGJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-bromo-2-cyclohexyl-4-methylbenzene?
1-bromo-2-cyclohexyl-4-methylbenzene has a molecular weight of 253.18 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclohexyl-4-methylbenzene is sourced from PubChem (CID 117104268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).