1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene

C14H18BrCl — CID 107183607

IUPAC1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1C(Cl)Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrCl/c1-10-4-2-7-13(10)14(16)9-11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3
InChIKeyGLEKTPHYIINFKK-UHFFFAOYSA-N
MW301.65 g/mol
LogP5.04
Rot. Bonds3

About 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene

1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene (PubChem CID 107183607) has the molecular formula C14H18BrCl and a molecular weight of 301.65 g/mol. Its IUPAC name is 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
PubChem CID107183607
Molecular FormulaC14H18BrCl
Molecular Weight301.65 g/mol
Exact Mass300.03
IUPAC Name1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1C(Cl)Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrCl/c1-10-4-2-7-13(10)14(16)9-11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3
InChIKeyGLEKTPHYIINFKK-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'}

Analyze 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183537
4-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63016306
3-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63014760
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179
3-[2-(3-bromophenyl)-1-chloroethyl]oxolane
CID 63016850
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-[2-(3-bromophenyl)-1-chloroethyl]adamantane
CID 81100754
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608
1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
CID 107183519
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene (CID 107183607) is 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene is CC1CCCC1C(Cl)Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
The InChIKey is GLEKTPHYIINFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl/c1-10-4-2-7-13(10)14(16)9-11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3.
What are the key properties of 1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene?
1-bromo-3-[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-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene is sourced from PubChem (CID 107183607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).