(2-bromocyclohex-2-en-1-yl)benzene

C12H13Br — CID 90941023

IUPAC(2-bromocyclohex-2-en-1-yl)benzene
SMILESBrC1=CCCCC1c1ccccc1
InChIInChI=1S/C12H13Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyIORCOKDXHPEOHQ-UHFFFAOYSA-N
MW237.14 g/mol
LogP4.23
Rot. Bonds1

About (2-bromocyclohex-2-en-1-yl)benzene

(2-bromocyclohex-2-en-1-yl)benzene (PubChem CID 90941023) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is (2-bromocyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name(2-bromocyclohex-2-en-1-yl)benzene
PubChem CID90941023
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name(2-bromocyclohex-2-en-1-yl)benzene
SMILESBrC1=CCCCC1c1ccccc1
InChIInChI=1S/C12H13Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyIORCOKDXHPEOHQ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-bromocyclohex-2-en-1-yl)phenol
CID 135033672
[2-[(E)-2-bromoethenyl]cyclohex-2-en-1-yl]benzene
CID 102366942
2-phenyl-3a,4,5,6-tetrahydroindene-1,3-dione
CID 171384673
2-bromocyclohex-2-en-1-olate
CID 135037886
(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
CID 98298121
(NZ)-N-[(2S)-2-phenylcyclohexylidene]hydroxylamine
CID 92524008
1-amino-3-phenylpiperidin-2-one
CID 66839021
(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
CID 125470084
1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
CID 174623974
4-(2-chlorocyclohex-2-en-1-yl)phenol
CID 121009158
(2-chloro-3-phenylcyclohexen-1-yl)benzene
CID 14737119
8-phenylbicyclo[5.2.0]non-1-ene
CID 134982556

Frequently Asked Questions

What is the IUPAC name of (2-bromocyclohex-2-en-1-yl)benzene?
The IUPAC name of (2-bromocyclohex-2-en-1-yl)benzene (CID 90941023) is (2-bromocyclohex-2-en-1-yl)benzene.
What is the SMILES notation for (2-bromocyclohex-2-en-1-yl)benzene?
The canonical SMILES for (2-bromocyclohex-2-en-1-yl)benzene is BrC1=CCCCC1c1ccccc1.
What is the InChIKey of (2-bromocyclohex-2-en-1-yl)benzene?
The InChIKey is IORCOKDXHPEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,9,11H,4-5,8H2.
What are the key properties of (2-bromocyclohex-2-en-1-yl)benzene?
(2-bromocyclohex-2-en-1-yl)benzene has a molecular weight of 237.14 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 90941023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).