1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene

C12H14BrCl — CID 63471892

IUPAC1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene
SMILESClc1ccc(CCC(Br)C2CC2)cc1
InChIInChI=1S/C12H14BrCl/c13-12(10-4-5-10)8-3-9-1-6-11(14)7-2-9/h1-2,6-7,10,12H,3-5,8H2
InChIKeyWAWAPPJLRBJNLF-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene

1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene (PubChem CID 63471892) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene
PubChem CID63471892
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene
SMILESClc1ccc(CCC(Br)C2CC2)cc1
InChIInChI=1S/C12H14BrCl/c13-12(10-4-5-10)8-3-9-1-6-11(14)7-2-9/h1-2,6-7,10,12H,3-5,8H2
InChIKeyWAWAPPJLRBJNLF-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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'}

Analyze 1-(3-bromo-3-cyclopropylpropyl)-4-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

1-(3-bromo-3-cyclopropylpropyl)-4-iodobenzene
CID 65476338
4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
CID 103041712
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316
1-(3-bromopentyl)-4-chlorobenzene
CID 63470473
2-(3-bromo-3-cyclopropylpropyl)-1,3-difluorobenzene
CID 64508326
1-(3-bromo-4,4-dimethylpentyl)-4-chlorobenzene
CID 63470847
1-(2-bromo-3-cyclopropylbutyl)-4-chlorobenzene
CID 83151006
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
CID 63472364
1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
CID 63358358
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene
CID 130640114

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene?
The IUPAC name of 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene (CID 63471892) is 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene.
What is the SMILES notation for 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene?
The canonical SMILES for 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene is Clc1ccc(CCC(Br)C2CC2)cc1.
What is the InChIKey of 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene?
The InChIKey is WAWAPPJLRBJNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c13-12(10-4-5-10)8-3-9-1-6-11(14)7-2-9/h1-2,6-7,10,12H,3-5,8H2.
What are the key properties of 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene?
1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene has a molecular weight of 273.60 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene is sourced from PubChem (CID 63471892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).