ethyl 2-(4-methoxyphenyl)selanylacetate

C11H14O3Se — CID 10635957

IUPACethyl 2-(4-methoxyphenyl)selanylacetate
SMILESCCOC(=O)C[Se]c1ccc(OC)cc1
InChIInChI=1S/C11H14O3Se/c1-3-14-11(12)8-15-10-6-4-9(13-2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyYSTJQBRVCXUCOG-UHFFFAOYSA-N
MW273.19 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-(4-methoxyphenyl)selanylacetate

ethyl 2-(4-methoxyphenyl)selanylacetate (PubChem CID 10635957) has the molecular formula C11H14O3Se and a molecular weight of 273.19 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)selanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)selanylacetate
PubChem CID10635957
Molecular FormulaC11H14O3Se
Molecular Weight273.19 g/mol
Exact Mass274.01
IUPAC Nameethyl 2-(4-methoxyphenyl)selanylacetate
SMILESCCOC(=O)C[Se]c1ccc(OC)cc1
InChIInChI=1S/C11H14O3Se/c1-3-14-11(12)8-15-10-6-4-9(13-2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyYSTJQBRVCXUCOG-UHFFFAOYSA-N
XLogP1.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 51.01
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

ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
CID 11075965
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl acetate;4-methoxybenzoic acid
CID 158342660
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)selanylacetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)selanylacetate (CID 10635957) is ethyl 2-(4-methoxyphenyl)selanylacetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)selanylacetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)selanylacetate is CCOC(=O)C[Se]c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)selanylacetate?
The InChIKey is YSTJQBRVCXUCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3Se/c1-3-14-11(12)8-15-10-6-4-9(13-2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)selanylacetate?
ethyl 2-(4-methoxyphenyl)selanylacetate has a molecular weight of 273.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)selanylacetate is sourced from PubChem (CID 10635957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).