[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane

C13H20BrClSi — CID 106324208

IUPAC[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CBr)Cc1ccccc1Cl
InChIInChI=1S/C13H20BrClSi/c1-16(2,3)10-11(9-14)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3
InChIKeyOPZKLSCJNGMNHD-UHFFFAOYSA-N
MW319.75 g/mol
LogP5.23
Rot. Bonds5

About [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane

[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane (PubChem CID 106324208) has the molecular formula C13H20BrClSi and a molecular weight of 319.75 g/mol. Its IUPAC name is [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
PubChem CID106324208
Molecular FormulaC13H20BrClSi
Molecular Weight319.75 g/mol
Exact Mass318.02
IUPAC Name[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CBr)Cc1ccccc1Cl
InChIInChI=1S/C13H20BrClSi/c1-16(2,3)10-11(9-14)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3
InChIKeyOPZKLSCJNGMNHD-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.75
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324133
[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
CID 106324211
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
CID 66042144
5-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66043151
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-benzothiazole
CID 104632464
4-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-chloro-1-fluorobenzene
CID 103042082
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
The IUPAC name of [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane (CID 106324208) is [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane.
What is the SMILES notation for [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
The canonical SMILES for [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane is C[Si](C)(C)CC(CBr)Cc1ccccc1Cl.
What is the InChIKey of [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
The InChIKey is OPZKLSCJNGMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClSi/c1-16(2,3)10-11(9-14)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3.
What are the key properties of [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane has a molecular weight of 319.75 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane is sourced from PubChem (CID 106324208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).