2,4-dibromo-1-(cyclohexen-1-yl)benzene

C12H12Br2 — CID 54545059

IUPAC2,4-dibromo-1-(cyclohexen-1-yl)benzene
SMILESBrc1ccc(C2=CCCCC2)c(Br)c1
InChIInChI=1S/C12H12Br2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyZFYAXYHJVMOQRL-UHFFFAOYSA-N
MW316.04 g/mol
LogP5.17
Rot. Bonds1

About 2,4-dibromo-1-(cyclohexen-1-yl)benzene

2,4-dibromo-1-(cyclohexen-1-yl)benzene (PubChem CID 54545059) has the molecular formula C12H12Br2 and a molecular weight of 316.04 g/mol. Its IUPAC name is 2,4-dibromo-1-(cyclohexen-1-yl)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(cyclohexen-1-yl)benzene
PubChem CID54545059
Molecular FormulaC12H12Br2
Molecular Weight316.04 g/mol
Exact Mass313.93
IUPAC Name2,4-dibromo-1-(cyclohexen-1-yl)benzene
SMILESBrc1ccc(C2=CCCCC2)c(Br)c1
InChIInChI=1S/C12H12Br2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyZFYAXYHJVMOQRL-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.04
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2-(cyclohexen-1-yl)phenol
CID 102534087
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine;hydrochloride
CID 17210372
[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
CID 107947929
6-bromo-3-(cyclopenten-1-yl)-2-fluorophenol
CID 153220792
4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
CID 66968489
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole
CID 172504647
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
CID 17210373
1-[(1E)-cycloocten-1-yl]-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107947117
1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene
CID 57333305

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(cyclohexen-1-yl)benzene?
The IUPAC name of 2,4-dibromo-1-(cyclohexen-1-yl)benzene (CID 54545059) is 2,4-dibromo-1-(cyclohexen-1-yl)benzene.
What is the SMILES notation for 2,4-dibromo-1-(cyclohexen-1-yl)benzene?
The canonical SMILES for 2,4-dibromo-1-(cyclohexen-1-yl)benzene is Brc1ccc(C2=CCCCC2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-1-(cyclohexen-1-yl)benzene?
The InChIKey is ZFYAXYHJVMOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2.
What are the key properties of 2,4-dibromo-1-(cyclohexen-1-yl)benzene?
2,4-dibromo-1-(cyclohexen-1-yl)benzene has a molecular weight of 316.04 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(cyclohexen-1-yl)benzene is sourced from PubChem (CID 54545059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).