phenyl 2-selanylacetate

C8H8O2Se — CID 174249881

IUPACphenyl 2-selanylacetate
SMILESO=C(C[SeH])Oc1ccccc1
InChIInChI=1S/C8H8O2Se/c9-8(6-11)10-7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyAOMGXBXSKQZPQY-UHFFFAOYSA-N
MW215.11 g/mol
LogP0.91
Rot. Bonds2

About phenyl 2-selanylacetate

phenyl 2-selanylacetate (PubChem CID 174249881) has the molecular formula C8H8O2Se and a molecular weight of 215.11 g/mol. Its IUPAC name is phenyl 2-selanylacetate.

Molecular Properties

Compound Namephenyl 2-selanylacetate
PubChem CID174249881
Molecular FormulaC8H8O2Se
Molecular Weight215.11 g/mol
Exact Mass215.97
IUPAC Namephenyl 2-selanylacetate
SMILESO=C(C[SeH])Oc1ccccc1
InChIInChI=1S/C8H8O2Se/c9-8(6-11)10-7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyAOMGXBXSKQZPQY-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl propanoate
CID 161258381
3-oxo-3-phenoxypropanoic acid
CID 3015801
diphenyl nonanedioate
CID 18428919
CID 161494205
CID 161494205
phenyl 2-phenylacetate;zinc
CID 70522084
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
phenyl butanoate
CID 20354
phenyl butanoate;zirconium
CID 175596905
2-oxo-2-phenoxyethanesulfonic acid
CID 23329753
alumane;phenyl butanoate
CID 174579212
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
50-oxo-50-phenoxypentacontanoic acid
CID 139682644

Frequently Asked Questions

What is the IUPAC name of phenyl 2-selanylacetate?
The IUPAC name of phenyl 2-selanylacetate (CID 174249881) is phenyl 2-selanylacetate.
What is the SMILES notation for phenyl 2-selanylacetate?
The canonical SMILES for phenyl 2-selanylacetate is O=C(C[SeH])Oc1ccccc1.
What is the InChIKey of phenyl 2-selanylacetate?
The InChIKey is AOMGXBXSKQZPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2Se/c9-8(6-11)10-7-4-2-1-3-5-7/h1-5,11H,6H2.
What are the key properties of phenyl 2-selanylacetate?
phenyl 2-selanylacetate has a molecular weight of 215.11 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-selanylacetate is sourced from PubChem (CID 174249881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).