1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene

C15H19Br3 — CID 112571168

IUPAC1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene
SMILESBrCC(CBr)(Cc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C15H19Br3/c16-10-15(11-17,13-5-1-2-6-13)9-12-4-3-7-14(18)8-12/h3-4,7-8,13H,1-2,5-6,9-11H2
InChIKeyYQEPGJVVNSYMSZ-UHFFFAOYSA-N
MW439.03 g/mol
LogP5.96
Rot. Bonds5

About 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene

1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene (PubChem CID 112571168) has the molecular formula C15H19Br3 and a molecular weight of 439.03 g/mol. Its IUPAC name is 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene
PubChem CID112571168
Molecular FormulaC15H19Br3
Molecular Weight439.03 g/mol
Exact Mass435.90
IUPAC Name1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene
SMILESBrCC(CBr)(Cc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C15H19Br3/c16-10-15(11-17,13-5-1-2-6-13)9-12-4-3-7-14(18)8-12/h3-4,7-8,13H,1-2,5-6,9-11H2
InChIKeyYQEPGJVVNSYMSZ-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.03
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]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

3-Bromobiphenyl
CID 16449
3,3'-Dibromobiphenyl
CID 153987
1-Bromo-3-isopropylbenzene
CID 138499
1-Bromo-3-tert-butylbenzene
CID 343798
3-Bromobenzyl bromide
CID 69979
1-Bromo-4-tert-butylbenzene
CID 77595
Benzene, 1-bromo-3-ethyl-
CID 123170
1-Bromo-4-(2-methylbutan-2-yl)benzene
CID 12900989
1-Bromo-3-cyclohexylbenzene
CID 18398266
1-Bromo-3-hexylbenzene
CID 563022
1-Bromo-3,5-di-tert-butylbenzene
CID 620136
3-Bromophenethyl bromide
CID 14361216

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene?
The IUPAC name of 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene (CID 112571168) is 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene.
What is the SMILES notation for 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene?
The canonical SMILES for 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene is BrCC(CBr)(Cc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene?
The InChIKey is YQEPGJVVNSYMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br3/c16-10-15(11-17,13-5-1-2-6-13)9-12-4-3-7-14(18)8-12/h3-4,7-8,13H,1-2,5-6,9-11H2.
What are the key properties of 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene?
1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene has a molecular weight of 439.03 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]benzene is sourced from PubChem (CID 112571168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).