2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane

C13H20BrClO2SSi — CID 156738835

IUPAC2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCSc1c(OCOCC[Si](C)(C)C)ccc(Br)c1Cl
InChIInChI=1S/C13H20BrClO2SSi/c1-18-13-11(6-5-10(14)12(13)15)17-9-16-7-8-19(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeyQOUZLNXBRNTBHL-UHFFFAOYSA-N
MW383.81 g/mol
LogP5.52
Rot. Bonds7

About 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane

2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 156738835) has the molecular formula C13H20BrClO2SSi and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID156738835
Molecular FormulaC13H20BrClO2SSi
Molecular Weight383.81 g/mol
Exact Mass381.98
IUPAC Name2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCSc1c(OCOCC[Si](C)(C)C)ccc(Br)c1Cl
InChIInChI=1S/C13H20BrClO2SSi/c1-18-13-11(6-5-10(14)12(13)15)17-9-16-7-8-19(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeyQOUZLNXBRNTBHL-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.81
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane 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

trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825
2-[2-(2-bromophenoxy)ethoxymethoxy]ethyl-trimethylsilane
CID 171066438
2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
CID 90858279
5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 177307372
4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 159501302
2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166176313
trimethyl-[2-[[2-(trifluoromethyl)phenoxy]methoxy]ethyl]silane
CID 177342967
4-bromo-3-chloro-2-methylsulfanylphenol
CID 131361264
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 151839763
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
CID 164893480

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane (CID 156738835) is 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane is CSc1c(OCOCC[Si](C)(C)C)ccc(Br)c1Cl.
What is the InChIKey of 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is QOUZLNXBRNTBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClO2SSi/c1-18-13-11(6-5-10(14)12(13)15)17-9-16-7-8-19(2,3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 383.81 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156738835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).