1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene

C14H18BrCl — CID 107183537

IUPAC1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1C(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C14H18BrCl/c1-10-3-2-4-13(10)14(16)9-11-5-7-12(15)8-6-11/h5-8,10,13-14H,2-4,9H2,1H3
InChIKeyKVRADOSIDAFGNZ-UHFFFAOYSA-N
MW301.65 g/mol
LogP5.04
Rot. Bonds3

About 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene

1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene (PubChem CID 107183537) has the molecular formula C14H18BrCl and a molecular weight of 301.65 g/mol. Its IUPAC name is 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
PubChem CID107183537
Molecular FormulaC14H18BrCl
Molecular Weight301.65 g/mol
Exact Mass300.03
IUPAC Name1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1C(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C14H18BrCl/c1-10-3-2-4-13(10)14(16)9-11-5-7-12(15)8-6-11/h5-8,10,13-14H,2-4,9H2,1H3
InChIKeyKVRADOSIDAFGNZ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.65
LogP ≤ 55.04
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-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
The IUPAC name of 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene (CID 107183537) is 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene is CC1CCCC1C(Cl)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
The InChIKey is KVRADOSIDAFGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl/c1-10-3-2-4-13(10)14(16)9-11-5-7-12(15)8-6-11/h5-8,10,13-14H,2-4,9H2,1H3.
What are the key properties of 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene has a molecular weight of 301.65 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene is sourced from PubChem (CID 107183537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).