ethyl 2-(4-methylphenyl)-2-phenylselanylacetate

C17H18O2Se — CID 15180539

IUPACethyl 2-(4-methylphenyl)-2-phenylselanylacetate
SMILESCCOC(=O)C([Se]c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O2Se/c1-3-19-17(18)16(14-11-9-13(2)10-12-14)20-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3
InChIKeyHVFWDZUXELNTHS-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-(4-methylphenyl)-2-phenylselanylacetate

ethyl 2-(4-methylphenyl)-2-phenylselanylacetate (PubChem CID 15180539) has the molecular formula C17H18O2Se and a molecular weight of 333.29 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)-2-phenylselanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)-2-phenylselanylacetate
PubChem CID15180539
Molecular FormulaC17H18O2Se
Molecular Weight333.29 g/mol
Exact Mass334.05
IUPAC Nameethyl 2-(4-methylphenyl)-2-phenylselanylacetate
SMILESCCOC(=O)C([Se]c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O2Se/c1-3-19-17(18)16(14-11-9-13(2)10-12-14)20-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3
InChIKeyHVFWDZUXELNTHS-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate
CID 15180544
ethyl 2-phenylselanyl-2-(3,4,5-trimethoxyphenyl)acetate
CID 11395726
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
1-[bis(phenylselanyl)methyl]-4-methylbenzene
CID 86034918
ethyl 2-(benzenesulfonyl)-2-(4-methylphenyl)acetate
CID 11186213
diethyl 2-bromopropanedioate;toluene
CID 174851876
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate
CID 101397119
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)-2-phenylselanylacetate?
The IUPAC name of ethyl 2-(4-methylphenyl)-2-phenylselanylacetate (CID 15180539) is ethyl 2-(4-methylphenyl)-2-phenylselanylacetate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)-2-phenylselanylacetate?
The canonical SMILES for ethyl 2-(4-methylphenyl)-2-phenylselanylacetate is CCOC(=O)C([Se]c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylphenyl)-2-phenylselanylacetate?
The InChIKey is HVFWDZUXELNTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2Se/c1-3-19-17(18)16(14-11-9-13(2)10-12-14)20-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)-2-phenylselanylacetate?
ethyl 2-(4-methylphenyl)-2-phenylselanylacetate has a molecular weight of 333.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)-2-phenylselanylacetate is sourced from PubChem (CID 15180539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).