(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile

C17H19NO2Si — CID 10935387

IUPAC(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2Si/c1-21(2,3)20-17(13-18)14-8-7-11-16(12-14)19-15-9-5-4-6-10-15/h4-12,17H,1-3H3/t17-/m0/s1
InChIKeyRMDXARJBHYOEIS-KRWDZBQOSA-N
MW297.43 g/mol
LogP4.90
Rot. Bonds5

About (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile

(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 10935387) has the molecular formula C17H19NO2Si and a molecular weight of 297.43 g/mol. Its IUPAC name is (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID10935387
Molecular FormulaC17H19NO2Si
Molecular Weight297.43 g/mol
Exact Mass297.12
IUPAC Name(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2Si/c1-21(2,3)20-17(13-18)14-8-7-11-16(12-14)19-15-9-5-4-6-10-15/h4-12,17H,1-3H3/t17-/m0/s1
InChIKeyRMDXARJBHYOEIS-KRWDZBQOSA-N
XLogP4.90
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217
[3-[cyano(trimethylsilyloxy)methyl]phenyl] 4-methylbenzenesulfonate
CID 87297713
[(R)-cyano-(3-phenoxyphenyl)methyl] butanoate
CID 11266404
[cyano-(3-phenoxyphenyl)methyl] ethyl carbonate
CID 13307555
3-[(S)-cyano-(3-phenoxyphenyl)methoxy]carbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102333830
2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 18463714
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181
[cyano-(3-phenoxyphenyl)methyl] 2-(2-methoxyphenoxy)-3-methylbutanoate
CID 10693987
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
[cyano-(3-phenoxyphenyl)methyl] 2-propan-2-ylpentanoate
CID 71386879
[cyano-(3-phenoxyphenyl)methyl] 2-naphthalen-1-ylpropanoate
CID 70636929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile (CID 10935387) is (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is RMDXARJBHYOEIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO2Si/c1-21(2,3)20-17(13-18)14-8-7-11-16(12-14)19-15-9-5-4-6-10-15/h4-12,17H,1-3H3/t17-/m0/s1.
What are the key properties of (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile?
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 297.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 10935387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).