3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane

C12H18BrClOSi — CID 164578565

IUPAC3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
SMILESC[Si](C)(C)CCCOc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H18BrClOSi/c1-16(2,3)8-4-7-15-10-5-6-11(13)12(14)9-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUMAFJEAXRDJVII-UHFFFAOYSA-N
MW321.72 g/mol
LogP5.21
Rot. Bonds5

About 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane

3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane (PubChem CID 164578565) has the molecular formula C12H18BrClOSi and a molecular weight of 321.72 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
PubChem CID164578565
Molecular FormulaC12H18BrClOSi
Molecular Weight321.72 g/mol
Exact Mass320.00
IUPAC Name3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
SMILESC[Si](C)(C)CCCOc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H18BrClOSi/c1-16(2,3)8-4-7-15-10-5-6-11(13)12(14)9-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUMAFJEAXRDJVII-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.72
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
CID 123328360
2-(4-bromo-3-chlorophenoxy)acetaldehyde
CID 130729736
2-(4-bromo-3-chlorophenoxy)acetonitrile
CID 130608314
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
5-(4-bromo-3-chlorophenoxy)-1-(5-chloro-1,3-thiazol-2-yl)pentan-2-one
CID 158522481
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane?
The IUPAC name of 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane (CID 164578565) is 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane.
What is the SMILES notation for 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane?
The canonical SMILES for 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane is C[Si](C)(C)CCCOc1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane?
The InChIKey is UMAFJEAXRDJVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClOSi/c1-16(2,3)8-4-7-15-10-5-6-11(13)12(14)9-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane?
3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane has a molecular weight of 321.72 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane is sourced from PubChem (CID 164578565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).