2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane

C22H43BrCl2O4Si2 — CID 90858279

IUPAC2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
SMILESCCOCC[Si](C)(C)C.COc1cc(Br)c(C)cc1OCOCC[Si](C)(C)C.ClCCl
InChIInChI=1S/C14H23BrO3Si.C7H18OSi.CH2Cl2/c1-11-8-14(13(16-2)9-12(11)15)18-10-17-6-7-19(3,4)5;1-5-8-6-7-9(2,3)4;2-1-3/h8-9H,6-7,10H2,1-5H3;5-7H2,1-4H3;1H2
InChIKeyBOEWUWCWDWAXRL-UHFFFAOYSA-N
MW578.56 g/mol
LogP8.24
Rot. Bonds11

About 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane

2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane (PubChem CID 90858279) has the molecular formula C22H43BrCl2O4Si2 and a molecular weight of 578.56 g/mol. Its IUPAC name is 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane.

Molecular Properties

Compound Name2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
PubChem CID90858279
Molecular FormulaC22H43BrCl2O4Si2
Molecular Weight578.56 g/mol
Exact Mass576.13
IUPAC Name2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
SMILESCCOCC[Si](C)(C)C.COc1cc(Br)c(C)cc1OCOCC[Si](C)(C)C.ClCCl
InChIInChI=1S/C14H23BrO3Si.C7H18OSi.CH2Cl2/c1-11-8-14(13(16-2)9-12(11)15)18-10-17-6-7-19(3,4)5;1-5-8-6-7-9(2,3)4;2-1-3/h8-9H,6-7,10H2,1-5H3;5-7H2,1-4H3;1H2
InChIKeyBOEWUWCWDWAXRL-UHFFFAOYSA-N
XLogP8.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.56
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane 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

1-Bromo-4,5-dimethoxy-2-(methoxymethoxymethyl)benzene
CID 16216680
2-(6-Bromo-1,3-benzodioxol-5-yl)ethoxy-tri(propan-2-yl)silane
CID 11989001
[2-(4-Bromo-5-ethoxymethyl-2-methoxy-phenoxymethoxy)-ethyl]-trimethyl-silane
CID 21877322
[2-(4-Bromo-2-methoxy-5-methyl-phenoxymethoxy)ethyl]-trimethyl-silane
CID 21877361
2-[(2-Bromo-5-ethoxy-4-methoxyphenyl)methoxymethoxy]ethyl-trimethylsilane
CID 21877490
(2-Bromo-4-methoxy-5-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-methanol
CID 22486246
4-Bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol
CID 22980672
5-Bromo-2,2-dichloro-6-methyl-1,3-benzodioxole
CID 54071113
2-[(4-Bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane
CID 69370975
2-[(4-Bromo-3-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
CID 91261578
1-Bromo-4-butoxy-2-(diethoxymethyl)-5-methoxybenzene
CID 130438424
5-Bromo-6-methyl-1,3-benzodioxole;ethane
CID 143259680

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
The IUPAC name of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane (CID 90858279) is 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane.
What is the SMILES notation for 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
The canonical SMILES for 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane is CCOCC[Si](C)(C)C.COc1cc(Br)c(C)cc1OCOCC[Si](C)(C)C.ClCCl.
What is the InChIKey of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
The InChIKey is BOEWUWCWDWAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO3Si.C7H18OSi.CH2Cl2/c1-11-8-14(13(16-2)9-12(11)15)18-10-17-6-7-19(3,4)5;1-5-8-6-7-9(2,3)4;2-1-3/h8-9H,6-7,10H2,1-5H3;5-7H2,1-4H3;1H2.
What are the key properties of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane has a molecular weight of 578.56 g/mol, XLogP of 8.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane is sourced from PubChem (CID 90858279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).