2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile

C11H15NO3Si — CID 134884261

IUPAC2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(O)cc1O
InChIInChI=1S/C11H15NO3Si/c1-16(2,3)15-11(7-12)9-5-4-8(13)6-10(9)14/h4-6,11,13-14H,1-3H3
InChIKeyNJMGUUJGKFOLDY-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.51
Rot. Bonds3

About 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile

2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 134884261) has the molecular formula C11H15NO3Si and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID134884261
Molecular FormulaC11H15NO3Si
Molecular Weight237.33 g/mol
Exact Mass237.08
IUPAC Name2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(O)cc1O
InChIInChI=1S/C11H15NO3Si/c1-16(2,3)15-11(7-12)9-5-4-8(13)6-10(9)14/h4-6,11,13-14H,1-3H3
InChIKeyNJMGUUJGKFOLDY-UHFFFAOYSA-N
XLogP2.51
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 14566879
2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile
CID 131052691
(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 124630227
(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 125466839
3-[1-(2,4-dihydroxyphenyl)ethylamino]-2-methylpropanenitrile
CID 62648148
4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
CID 10977294
4-[2-(2,4-dihydroxyphenyl)-1,2-bis(sulfanyl)ethyl]benzene-1,3-diol
CID 23187827
(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
CID 131172092
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 10935387
2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 158704674
4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol
CID 138513626
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile (CID 134884261) is 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccc(O)cc1O.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is NJMGUUJGKFOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3Si/c1-16(2,3)15-11(7-12)9-5-4-8(13)6-10(9)14/h4-6,11,13-14H,1-3H3.
What are the key properties of 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile?
2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 237.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).