4-bromo-2-trimethylsilylphenol

C9H13BrOSi — CID 13101765

IUPAC4-bromo-2-trimethylsilylphenol
SMILESC[Si](C)(C)c1cc(Br)ccc1O
InChIInChI=1S/C9H13BrOSi/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6,11H,1-3H3
InChIKeySNYUUOPGPMNDFL-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.70
Rot. Bonds1

About 4-bromo-2-trimethylsilylphenol

4-bromo-2-trimethylsilylphenol (PubChem CID 13101765) has the molecular formula C9H13BrOSi and a molecular weight of 245.19 g/mol. Its IUPAC name is 4-bromo-2-trimethylsilylphenol.

Molecular Properties

Compound Name4-bromo-2-trimethylsilylphenol
PubChem CID13101765
Molecular FormulaC9H13BrOSi
Molecular Weight245.19 g/mol
Exact Mass243.99
IUPAC Name4-bromo-2-trimethylsilylphenol
SMILESC[Si](C)(C)c1cc(Br)ccc1O
InChIInChI=1S/C9H13BrOSi/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6,11H,1-3H3
InChIKeySNYUUOPGPMNDFL-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-trimethylsilylphenol 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 4-bromo-2-trimethylsilylphenol?
The IUPAC name of 4-bromo-2-trimethylsilylphenol (CID 13101765) is 4-bromo-2-trimethylsilylphenol.
What is the SMILES notation for 4-bromo-2-trimethylsilylphenol?
The canonical SMILES for 4-bromo-2-trimethylsilylphenol is C[Si](C)(C)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-trimethylsilylphenol?
The InChIKey is SNYUUOPGPMNDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOSi/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6,11H,1-3H3.
What are the key properties of 4-bromo-2-trimethylsilylphenol?
4-bromo-2-trimethylsilylphenol has a molecular weight of 245.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-trimethylsilylphenol is sourced from PubChem (CID 13101765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).