3-methyl-5-(2-trimethylsilylethynyl)phenol

C12H16OSi — CID 132839021

IUPAC3-methyl-5-(2-trimethylsilylethynyl)phenol
SMILESCc1cc(O)cc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C12H16OSi/c1-10-7-11(9-12(13)8-10)5-6-14(2,3)4/h7-9,13H,1-4H3
InChIKeyIWWAZRYUWGIZHM-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.93
Rot. Bonds

About 3-methyl-5-(2-trimethylsilylethynyl)phenol

3-methyl-5-(2-trimethylsilylethynyl)phenol (PubChem CID 132839021) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-methyl-5-(2-trimethylsilylethynyl)phenol.

Molecular Properties

Compound Name3-methyl-5-(2-trimethylsilylethynyl)phenol
PubChem CID132839021
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name3-methyl-5-(2-trimethylsilylethynyl)phenol
SMILESCc1cc(O)cc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C12H16OSi/c1-10-7-11(9-12(13)8-10)5-6-14(2,3)4/h7-9,13H,1-4H3
InChIKeyIWWAZRYUWGIZHM-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-trimethylsilylethynyl)phenol?
The IUPAC name of 3-methyl-5-(2-trimethylsilylethynyl)phenol (CID 132839021) is 3-methyl-5-(2-trimethylsilylethynyl)phenol.
What is the SMILES notation for 3-methyl-5-(2-trimethylsilylethynyl)phenol?
The canonical SMILES for 3-methyl-5-(2-trimethylsilylethynyl)phenol is Cc1cc(O)cc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 3-methyl-5-(2-trimethylsilylethynyl)phenol?
The InChIKey is IWWAZRYUWGIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-10-7-11(9-12(13)8-10)5-6-14(2,3)4/h7-9,13H,1-4H3.
What are the key properties of 3-methyl-5-(2-trimethylsilylethynyl)phenol?
3-methyl-5-(2-trimethylsilylethynyl)phenol has a molecular weight of 204.34 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-trimethylsilylethynyl)phenol is sourced from PubChem (CID 132839021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).