1-(5-bromopent-2-en-2-yl)-2-chlorobenzene

C11H12BrCl — CID 79018892

IUPAC1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
SMILESCC(=CCCBr)c1ccccc1Cl
InChIInChI=1S/C11H12BrCl/c1-9(5-4-8-12)10-6-2-3-7-11(10)13/h2-3,5-7H,4,8H2,1H3
InChIKeyQEYDOFHJWRTNQY-UHFFFAOYSA-N
MW259.57 g/mol
LogP4.53
Rot. Bonds3

About 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene

1-(5-bromopent-2-en-2-yl)-2-chlorobenzene (PubChem CID 79018892) has the molecular formula C11H12BrCl and a molecular weight of 259.57 g/mol. Its IUPAC name is 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
PubChem CID79018892
Molecular FormulaC11H12BrCl
Molecular Weight259.57 g/mol
Exact Mass257.98
IUPAC Name1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
SMILESCC(=CCCBr)c1ccccc1Cl
InChIInChI=1S/C11H12BrCl/c1-9(5-4-8-12)10-6-2-3-7-11(10)13/h2-3,5-7H,4,8H2,1H3
InChIKeyQEYDOFHJWRTNQY-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene?
The IUPAC name of 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene (CID 79018892) is 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene.
What is the SMILES notation for 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene?
The canonical SMILES for 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene is CC(=CCCBr)c1ccccc1Cl.
What is the InChIKey of 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene?
The InChIKey is QEYDOFHJWRTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl/c1-9(5-4-8-12)10-6-2-3-7-11(10)13/h2-3,5-7H,4,8H2,1H3.
What are the key properties of 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene?
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene has a molecular weight of 259.57 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopent-2-en-2-yl)-2-chlorobenzene is sourced from PubChem (CID 79018892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).