methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate

C14H18O3Si — CID 154006056

IUPACmethyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1cc(C#C[Si](C)(C)C)c(O)cc1C
InChIInChI=1S/C14H18O3Si/c1-10-8-13(15)11(6-7-18(3,4)5)9-12(10)14(16)17-2/h8-9,15H,1-5H3
InChIKeyOLTZVXVMNHTVBD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.72
Rot. Bonds1

About methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate

methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate (PubChem CID 154006056) has the molecular formula C14H18O3Si and a molecular weight of 262.38 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate
PubChem CID154006056
Molecular FormulaC14H18O3Si
Molecular Weight262.38 g/mol
Exact Mass262.10
IUPAC Namemethyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1cc(C#C[Si](C)(C)C)c(O)cc1C
InChIInChI=1S/C14H18O3Si/c1-10-8-13(15)11(6-7-18(3,4)5)9-12(10)14(16)17-2/h8-9,15H,1-5H3
InChIKeyOLTZVXVMNHTVBD-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.72
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 5-cyano-4-hydroxy-2-methylbenzoate
CID 130779459
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
CID 19423395
methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
CID 141367540
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
dimethyl 2-[1-[4-[1-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]ethyl]-2,5-bis(2-trimethylsilylethynyl)phenyl]ethylidene]-1,3-dithiole-4,5-dicarboxylate
CID 139123759
4-bromo-2-methyl-5-(2-trimethylsilylethynyl)benzoic acid
CID 170902022
ethane;methyl 4-hydroxy-2-methyl-5-nitrobenzoate
CID 143821268
methyl 4-hydroxy-2-methyl-5-propanoylbenzoate
CID 13315616
methyl 2-amino-5-ethynyl-4-(trifluoromethyl)benzoate;methyl 2-amino-4-(trifluoromethyl)-5-(2-trimethylsilylethynyl)benzoate
CID 159666881
methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
CID 169495051
methyl 4-amino-3-cyano-5-(2-trimethylsilylethynyl)benzoate
CID 90355976

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate?
The IUPAC name of methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate (CID 154006056) is methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate.
What is the SMILES notation for methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate?
The canonical SMILES for methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate is COC(=O)c1cc(C#C[Si](C)(C)C)c(O)cc1C.
What is the InChIKey of methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate?
The InChIKey is OLTZVXVMNHTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3Si/c1-10-8-13(15)11(6-7-18(3,4)5)9-12(10)14(16)17-2/h8-9,15H,1-5H3.
What are the key properties of methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate?
methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate has a molecular weight of 262.38 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate is sourced from PubChem (CID 154006056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).