[3-(2-trimethylsilylethynyl)phenyl]methanol

C12H16OSi — CID 68608963

IUPAC[3-(2-trimethylsilylethynyl)phenyl]methanol
SMILESC[Si](C)(C)C#Cc1cccc(CO)c1
InChIInChI=1S/C12H16OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9,13H,10H2,1-3H3
InChIKeyUZZXLCBJBRCJMC-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.41
Rot. Bonds1

About [3-(2-trimethylsilylethynyl)phenyl]methanol

[3-(2-trimethylsilylethynyl)phenyl]methanol (PubChem CID 68608963) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is [3-(2-trimethylsilylethynyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-trimethylsilylethynyl)phenyl]methanol
PubChem CID68608963
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name[3-(2-trimethylsilylethynyl)phenyl]methanol
SMILESC[Si](C)(C)C#Cc1cccc(CO)c1
InChIInChI=1S/C12H16OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9,13H,10H2,1-3H3
InChIKeyUZZXLCBJBRCJMC-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.41
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-(2-trimethylsilylethynyl)phenyl]methanol?
The IUPAC name of [3-(2-trimethylsilylethynyl)phenyl]methanol (CID 68608963) is [3-(2-trimethylsilylethynyl)phenyl]methanol.
What is the SMILES notation for [3-(2-trimethylsilylethynyl)phenyl]methanol?
The canonical SMILES for [3-(2-trimethylsilylethynyl)phenyl]methanol is C[Si](C)(C)C#Cc1cccc(CO)c1.
What is the InChIKey of [3-(2-trimethylsilylethynyl)phenyl]methanol?
The InChIKey is UZZXLCBJBRCJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9,13H,10H2,1-3H3.
What are the key properties of [3-(2-trimethylsilylethynyl)phenyl]methanol?
[3-(2-trimethylsilylethynyl)phenyl]methanol has a molecular weight of 204.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-trimethylsilylethynyl)phenyl]methanol is sourced from PubChem (CID 68608963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).