1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene

C12H14BrCl — CID 116540616

IUPAC1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
SMILESCC1(c2ccccc2Cl)CCC(Br)C1
InChIInChI=1S/C12H14BrCl/c1-12(7-6-9(13)8-12)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyYIKMZONVVPWRIQ-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.55
Rot. Bonds1

About 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene

1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene (PubChem CID 116540616) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
PubChem CID116540616
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
SMILESCC1(c2ccccc2Cl)CCC(Br)C1
InChIInChI=1S/C12H14BrCl/c1-12(7-6-9(13)8-12)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyYIKMZONVVPWRIQ-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene 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

4-(3-bromo-1-methylcyclopentyl)isoquinoline
CID 116540727
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535
2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
CID 116540633
2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
CID 116540790
3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
CID 116540743
2-(3-bromo-1-methylcyclopentyl)-1-benzofuran
CID 114734030
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine
CID 105478757
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862434
5-(3-bromo-1-methylcyclopentyl)-2-methylpyridine
CID 116540617
1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
CID 114520246

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene?
The IUPAC name of 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene (CID 116540616) is 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene.
What is the SMILES notation for 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene?
The canonical SMILES for 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene is CC1(c2ccccc2Cl)CCC(Br)C1.
What is the InChIKey of 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene?
The InChIKey is YIKMZONVVPWRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c1-12(7-6-9(13)8-12)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene?
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene has a molecular weight of 273.60 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene is sourced from PubChem (CID 116540616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).