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

C14H23BrO3Si — CID 69370975

IUPAC2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCOc1c(OCOCC[Si](C)(C)C)ccc(Br)c1C
InChIInChI=1S/C14H23BrO3Si/c1-11-12(15)6-7-13(14(11)16-2)18-10-17-8-9-19(3,4)5/h6-7H,8-10H2,1-5H3
InChIKeyAMNQNWIYIQLEOI-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.46
Rot. Bonds7

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

2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 69370975) has the molecular formula C14H23BrO3Si and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID69370975
Molecular FormulaC14H23BrO3Si
Molecular Weight347.33 g/mol
Exact Mass346.06
IUPAC Name2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCOc1c(OCOCC[Si](C)(C)C)ccc(Br)c1C
InChIInChI=1S/C14H23BrO3Si/c1-11-12(15)6-7-13(14(11)16-2)18-10-17-8-9-19(3,4)5/h6-7H,8-10H2,1-5H3
InChIKeyAMNQNWIYIQLEOI-UHFFFAOYSA-N
XLogP4.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.46
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-2-methoxy-3-methylphenoxy)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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane (CID 69370975) is 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane is COc1c(OCOCC[Si](C)(C)C)ccc(Br)c1C.
What is the InChIKey of 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is AMNQNWIYIQLEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO3Si/c1-11-12(15)6-7-13(14(11)16-2)18-10-17-8-9-19(3,4)5/h6-7H,8-10H2,1-5H3.
What are the key properties of 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 347.33 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methoxy-3-methylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69370975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).