trimethylsilyl 3-(4-hydroxyphenyl)propanoate

C12H18O3Si — CID 91710913

IUPACtrimethylsilyl 3-(4-hydroxyphenyl)propanoate
SMILESC[Si](C)(C)OC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)15-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,13H,6,9H2,1-3H3
InChIKeyMUXJGPKMOOWFET-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.70
Rot. Bonds4

About trimethylsilyl 3-(4-hydroxyphenyl)propanoate

trimethylsilyl 3-(4-hydroxyphenyl)propanoate (PubChem CID 91710913) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is trimethylsilyl 3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-(4-hydroxyphenyl)propanoate
PubChem CID91710913
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Nametrimethylsilyl 3-(4-hydroxyphenyl)propanoate
SMILESC[Si](C)(C)OC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)15-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,13H,6,9H2,1-3H3
InChIKeyMUXJGPKMOOWFET-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.70
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

trimethylsilyl 4-phenylbutanoate
CID 523833
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
diethyl 2-[3-(4-hydroxyphenyl)propanoyloxy]propanedioate
CID 14748412
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
prop-2-ynyl 3-(4-hydroxyphenyl)propanoate
CID 137320597
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
cyclohexyl 3-(4-hydroxyphenyl)propanoate
CID 13086547
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
1-iodoprop-2-ynyl 3-(4-hydroxyphenyl)propanoate
CID 57096058
1,3-dicarbamoyloxypropan-2-yl 3-(4-hydroxyphenyl)propanoate
CID 163573684
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-(4-hydroxyphenyl)propanoate?
The IUPAC name of trimethylsilyl 3-(4-hydroxyphenyl)propanoate (CID 91710913) is trimethylsilyl 3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for trimethylsilyl 3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for trimethylsilyl 3-(4-hydroxyphenyl)propanoate is C[Si](C)(C)OC(=O)CCc1ccc(O)cc1.
What is the InChIKey of trimethylsilyl 3-(4-hydroxyphenyl)propanoate?
The InChIKey is MUXJGPKMOOWFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-16(2,3)15-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,13H,6,9H2,1-3H3.
What are the key properties of trimethylsilyl 3-(4-hydroxyphenyl)propanoate?
trimethylsilyl 3-(4-hydroxyphenyl)propanoate has a molecular weight of 238.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 91710913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).