2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate

C13H20O3Si — CID 158104878

IUPAC2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC[Si](C)(C)C)c1O
InChIInChI=1S/C13H20O3Si/c1-10-6-5-7-11(12(10)14)13(15)16-8-9-17(2,3)4/h5-7,14H,8-9H2,1-4H3
InChIKeyFPSDIEHIXJIIGK-UHFFFAOYSA-N
MW252.39 g/mol
LogP3.20
Rot. Bonds4

About 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate

2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate (PubChem CID 158104878) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
PubChem CID158104878
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC[Si](C)(C)C)c1O
InChIInChI=1S/C13H20O3Si/c1-10-6-5-7-11(12(10)14)13(15)16-8-9-17(2,3)4/h5-7,14H,8-9H2,1-4H3
InChIKeyFPSDIEHIXJIIGK-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 2-hydroxy-3-methylbenzoate
CID 15349136
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate
CID 90408053
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2480657
[2-(butylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578092
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2578061
(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate (CID 158104878) is 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC[Si](C)(C)C)c1O.
What is the InChIKey of 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate?
The InChIKey is FPSDIEHIXJIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-10-6-5-7-11(12(10)14)13(15)16-8-9-17(2,3)4/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate?
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate has a molecular weight of 252.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 158104878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).