2-chloro-4-(2-trimethylsilylethynyl)phenol

C11H13ClOSi — CID 125485376

IUPAC2-chloro-4-(2-trimethylsilylethynyl)phenol
SMILESC[Si](C)(C)C#Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClOSi/c1-14(2,3)7-6-9-4-5-11(13)10(12)8-9/h4-5,8,13H,1-3H3
InChIKeyWZOZEMYDRCYWIM-UHFFFAOYSA-N
MW224.76 g/mol
LogP3.27
Rot. Bonds

About 2-chloro-4-(2-trimethylsilylethynyl)phenol

2-chloro-4-(2-trimethylsilylethynyl)phenol (PubChem CID 125485376) has the molecular formula C11H13ClOSi and a molecular weight of 224.76 g/mol. Its IUPAC name is 2-chloro-4-(2-trimethylsilylethynyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(2-trimethylsilylethynyl)phenol
PubChem CID125485376
Molecular FormulaC11H13ClOSi
Molecular Weight224.76 g/mol
Exact Mass224.04
IUPAC Name2-chloro-4-(2-trimethylsilylethynyl)phenol
SMILESC[Si](C)(C)C#Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClOSi/c1-14(2,3)7-6-9-4-5-11(13)10(12)8-9/h4-5,8,13H,1-3H3
InChIKeyWZOZEMYDRCYWIM-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-trimethylsilylethynyl)phenol 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-chloro-4-(2-trimethylsilylethynyl)phenol?
The IUPAC name of 2-chloro-4-(2-trimethylsilylethynyl)phenol (CID 125485376) is 2-chloro-4-(2-trimethylsilylethynyl)phenol.
What is the SMILES notation for 2-chloro-4-(2-trimethylsilylethynyl)phenol?
The canonical SMILES for 2-chloro-4-(2-trimethylsilylethynyl)phenol is C[Si](C)(C)C#Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-trimethylsilylethynyl)phenol?
The InChIKey is WZOZEMYDRCYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOSi/c1-14(2,3)7-6-9-4-5-11(13)10(12)8-9/h4-5,8,13H,1-3H3.
What are the key properties of 2-chloro-4-(2-trimethylsilylethynyl)phenol?
2-chloro-4-(2-trimethylsilylethynyl)phenol has a molecular weight of 224.76 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-trimethylsilylethynyl)phenol is sourced from PubChem (CID 125485376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).