methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate

C13H16O3Si — CID 19423395

IUPACmethyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1cc(C#C[Si](C)(C)C)ccc1O
InChIInChI=1S/C13H16O3Si/c1-16-13(15)11-9-10(5-6-12(11)14)7-8-17(2,3)4/h5-6,9,14H,1-4H3
InChIKeySVSDOLBGZNROSZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.41
Rot. Bonds1

About methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate

methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate (PubChem CID 19423395) has the molecular formula C13H16O3Si and a molecular weight of 248.35 g/mol. Its IUPAC name is methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
PubChem CID19423395
Molecular FormulaC13H16O3Si
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Namemethyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1cc(C#C[Si](C)(C)C)ccc1O
InChIInChI=1S/C13H16O3Si/c1-16-13(15)11-9-10(5-6-12(11)14)7-8-17(2,3)4/h5-6,9,14H,1-4H3
InChIKeySVSDOLBGZNROSZ-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-5-(3-hydroxyprop-1-ynyl)benzoate
CID 169485432
methyl 5-cyano-2-hydroxybenzoate
CID 10583428
1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
CID 70149856
methyl 2-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-4-(2-trimethylsilylethynyl)benzoate
CID 101224817
methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate
CID 154006056
2-chloro-4-(2-trimethylsilylethynyl)phenol
CID 125485376
methyl 2-[2-[4-[[di(propan-2-yl)amino]diazenyl]phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate
CID 22456498
methyl 2,6-difluoro-4-(2-trimethylsilylethynyl)benzoate
CID 140966195
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2-hydroxy-4-(2-phenylethynyl)benzoate
CID 90333703
methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
CID 141367540
methyl 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoate
CID 169485443

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate?
The IUPAC name of methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate (CID 19423395) is methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate is COC(=O)c1cc(C#C[Si](C)(C)C)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate?
The InChIKey is SVSDOLBGZNROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3Si/c1-16-13(15)11-9-10(5-6-12(11)14)7-8-17(2,3)4/h5-6,9,14H,1-4H3.
What are the key properties of methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate?
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate has a molecular weight of 248.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate is sourced from PubChem (CID 19423395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).