bromo-phenyl-propan-2-ylsilane

C9H13BrSi — CID 123224293

IUPACbromo-phenyl-propan-2-ylsilane
SMILESCC(C)[SiH](Br)c1ccccc1
InChIInChI=1S/C9H13BrSi/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyLSNSDGNCYJCZCF-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.42
Rot. Bonds2

About bromo-phenyl-propan-2-ylsilane

bromo-phenyl-propan-2-ylsilane (PubChem CID 123224293) has the molecular formula C9H13BrSi and a molecular weight of 229.19 g/mol. Its IUPAC name is bromo-phenyl-propan-2-ylsilane.

Molecular Properties

Compound Namebromo-phenyl-propan-2-ylsilane
PubChem CID123224293
Molecular FormulaC9H13BrSi
Molecular Weight229.19 g/mol
Exact Mass228.00
IUPAC Namebromo-phenyl-propan-2-ylsilane
SMILESCC(C)[SiH](Br)c1ccccc1
InChIInChI=1S/C9H13BrSi/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyLSNSDGNCYJCZCF-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-phenyl-propan-2-ylsilane 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

chloro-phenyl-propan-2-ylsilane
CID 123702580
bromo(diphenyl)silane
CID 102303968
chloromethyl-phenyl-propan-2-ylsilane
CID 123487752
diphenyl(1-phenylethyl)silane
CID 71360707
bromo-tert-butyl-phenylsilane
CID 123583339
1-bromoethylbenzene
CID 11454
dimethyl(phenyl)silane;hydrochloride
CID 172741806
N-[chloro(phenyl)silyl]propan-2-amine
CID 154187292
diethyl-[phenyl(propan-2-yl)silyl]oxysilane
CID 154004109
fluoroethene;methyl(diphenyl)silane
CID 174996165
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
[1-chloroethyl(phenyl)silyl]methanamine
CID 174669354

Frequently Asked Questions

What is the IUPAC name of bromo-phenyl-propan-2-ylsilane?
The IUPAC name of bromo-phenyl-propan-2-ylsilane (CID 123224293) is bromo-phenyl-propan-2-ylsilane.
What is the SMILES notation for bromo-phenyl-propan-2-ylsilane?
The canonical SMILES for bromo-phenyl-propan-2-ylsilane is CC(C)[SiH](Br)c1ccccc1.
What is the InChIKey of bromo-phenyl-propan-2-ylsilane?
The InChIKey is LSNSDGNCYJCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrSi/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8,11H,1-2H3.
What are the key properties of bromo-phenyl-propan-2-ylsilane?
bromo-phenyl-propan-2-ylsilane has a molecular weight of 229.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-phenyl-propan-2-ylsilane is sourced from PubChem (CID 123224293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).