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

C14H18BrCl — CID 63530757

IUPAC1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
SMILESClc1cccc(CC(Br)CC2CCCC2)c1
InChIInChI=1S/C14H18BrCl/c15-13(8-11-4-1-2-5-11)9-12-6-3-7-14(16)10-12/h3,6-7,10-11,13H,1-2,4-5,8-9H2
InChIKeyOWZIDZUBDIVEIX-UHFFFAOYSA-N
MW301.65 g/mol
LogP5.23
Rot. Bonds4

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

1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene (PubChem CID 63530757) has the molecular formula C14H18BrCl and a molecular weight of 301.65 g/mol. Its IUPAC name is 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
PubChem CID63530757
Molecular FormulaC14H18BrCl
Molecular Weight301.65 g/mol
Exact Mass300.03
IUPAC Name1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
SMILESClc1cccc(CC(Br)CC2CCCC2)c1
InChIInChI=1S/C14H18BrCl/c15-13(8-11-4-1-2-5-11)9-12-6-3-7-14(16)10-12/h3,6-7,10-11,13H,1-2,4-5,8-9H2
InChIKeyOWZIDZUBDIVEIX-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.65
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-3-cyclopentylpropyl)-3-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

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 63497587
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105195049
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene?
The IUPAC name of 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene (CID 63530757) is 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene.
What is the SMILES notation for 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene?
The canonical SMILES for 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene is Clc1cccc(CC(Br)CC2CCCC2)c1.
What is the InChIKey of 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene?
The InChIKey is OWZIDZUBDIVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl/c15-13(8-11-4-1-2-5-11)9-12-6-3-7-14(16)10-12/h3,6-7,10-11,13H,1-2,4-5,8-9H2.
What are the key properties of 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene?
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene has a molecular weight of 301.65 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene is sourced from PubChem (CID 63530757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).