4-bromo-2-chloro-1-cyclohexylbenzene

C12H14BrCl — CID 158332061

IUPAC4-bromo-2-chloro-1-cyclohexylbenzene
SMILESClc1cc(Br)ccc1C1CCCCC1
InChIInChI=1S/C12H14BrCl/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyGQDALVUWGYPDCU-UHFFFAOYSA-N
MW273.60 g/mol
LogP5.15
Rot. Bonds1

About 4-bromo-2-chloro-1-cyclohexylbenzene

4-bromo-2-chloro-1-cyclohexylbenzene (PubChem CID 158332061) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-cyclohexylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-cyclohexylbenzene
PubChem CID158332061
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name4-bromo-2-chloro-1-cyclohexylbenzene
SMILESClc1cc(Br)ccc1C1CCCCC1
InChIInChI=1S/C12H14BrCl/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyGQDALVUWGYPDCU-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-cyclohexylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-cyclohexylbenzene (CID 158332061) is 4-bromo-2-chloro-1-cyclohexylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-cyclohexylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-cyclohexylbenzene is Clc1cc(Br)ccc1C1CCCCC1.
What is the InChIKey of 4-bromo-2-chloro-1-cyclohexylbenzene?
The InChIKey is GQDALVUWGYPDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 4-bromo-2-chloro-1-cyclohexylbenzene?
4-bromo-2-chloro-1-cyclohexylbenzene has a molecular weight of 273.60 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-cyclohexylbenzene is sourced from PubChem (CID 158332061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).