1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene

C12H14BrCl — CID 64506471

IUPAC1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene
SMILESClc1ccc(CC2CCC(Br)C2)cc1
InChIInChI=1S/C12H14BrCl/c13-11-4-1-10(8-11)7-9-2-5-12(14)6-3-9/h2-3,5-6,10-11H,1,4,7-8H2
InChIKeyZSDCEJNGSJPMGQ-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.45
Rot. Bonds2

About 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene

1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene (PubChem CID 64506471) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene
PubChem CID64506471
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene
SMILESClc1ccc(CC2CCC(Br)C2)cc1
InChIInChI=1S/C12H14BrCl/c13-11-4-1-10(8-11)7-9-2-5-12(14)6-3-9/h2-3,5-6,10-11H,1,4,7-8H2
InChIKeyZSDCEJNGSJPMGQ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 54.45
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-[(3-bromocyclopentyl)methyl]-4-chlorobenzene?
The IUPAC name of 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene (CID 64506471) is 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene?
The canonical SMILES for 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene is Clc1ccc(CC2CCC(Br)C2)cc1.
What is the InChIKey of 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene?
The InChIKey is ZSDCEJNGSJPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c13-11-4-1-10(8-11)7-9-2-5-12(14)6-3-9/h2-3,5-6,10-11H,1,4,7-8H2.
What are the key properties of 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene?
1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene has a molecular weight of 273.60 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 64506471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).