1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene

C14H14BrCl — CID 71493218

IUPAC1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene
SMILESClc1cccc(/C(Br)=C\C2C=CCCC2)c1
InChIInChI=1S/C14H14BrCl/c15-14(9-11-5-2-1-3-6-11)12-7-4-8-13(16)10-12/h2,4-5,7-11H,1,3,6H2/b14-9+
InChIKeyNRRKYOCEXXDGDU-NTEUORMPSA-N
MW297.62 g/mol
LogP5.43
Rot. Bonds2

About 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene

1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene (PubChem CID 71493218) has the molecular formula C14H14BrCl and a molecular weight of 297.62 g/mol. Its IUPAC name is 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene
PubChem CID71493218
Molecular FormulaC14H14BrCl
Molecular Weight297.62 g/mol
Exact Mass296.00
IUPAC Name1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene
SMILESClc1cccc(/C(Br)=C\C2C=CCCC2)c1
InChIInChI=1S/C14H14BrCl/c15-14(9-11-5-2-1-3-6-11)12-7-4-8-13(16)10-12/h2,4-5,7-11H,1,3,6H2/b14-9+
InChIKeyNRRKYOCEXXDGDU-NTEUORMPSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.62
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene?
The IUPAC name of 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene (CID 71493218) is 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene.
What is the SMILES notation for 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene?
The canonical SMILES for 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene is Clc1cccc(/C(Br)=C\C2C=CCCC2)c1.
What is the InChIKey of 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene?
The InChIKey is NRRKYOCEXXDGDU-NTEUORMPSA-N. The full InChI is InChI=1S/C14H14BrCl/c15-14(9-11-5-2-1-3-6-11)12-7-4-8-13(16)10-12/h2,4-5,7-11H,1,3,6H2/b14-9+.
What are the key properties of 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene?
1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene has a molecular weight of 297.62 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene is sourced from PubChem (CID 71493218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).