ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate

C20H24O2Se — CID 15180544

IUPACethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate
SMILESCCOC(=O)C([Se]c1ccccc1)c1cc(C)ccc1C(C)C
InChIInChI=1S/C20H24O2Se/c1-5-22-20(21)19(23-16-9-7-6-8-10-16)18-13-15(4)11-12-17(18)14(2)3/h6-14,19H,5H2,1-4H3
InChIKeyUYMXTRZDVXDCPZ-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.75
Rot. Bonds6

About ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate

ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate (PubChem CID 15180544) has the molecular formula C20H24O2Se and a molecular weight of 375.37 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate
PubChem CID15180544
Molecular FormulaC20H24O2Se
Molecular Weight375.37 g/mol
Exact Mass376.09
IUPAC Nameethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate
SMILESCCOC(=O)C([Se]c1ccccc1)c1cc(C)ccc1C(C)C
InChIInChI=1S/C20H24O2Se/c1-5-22-20(21)19(23-16-9-7-6-8-10-16)18-13-15(4)11-12-17(18)14(2)3/h6-14,19H,5H2,1-4H3
InChIKeyUYMXTRZDVXDCPZ-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.75
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-(4-methylphenyl)-2-phenylselanylacetate
CID 15180539
ethyl 2-phenylselanyl-2-(3,4,5-trimethoxyphenyl)acetate
CID 11395726
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetamide
CID 62302330
ethyl 4-(3-methylphenyl)-2-nitro-4-phenylselanylbutanoate
CID 132967157
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate
CID 101397119
diethyl 2-(2-chloro-4-methylphenyl)propanedioate
CID 86045274
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate?
The IUPAC name of ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate (CID 15180544) is ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate.
What is the SMILES notation for ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate?
The canonical SMILES for ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate is CCOC(=O)C([Se]c1ccccc1)c1cc(C)ccc1C(C)C.
What is the InChIKey of ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate?
The InChIKey is UYMXTRZDVXDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Se/c1-5-22-20(21)19(23-16-9-7-6-8-10-16)18-13-15(4)11-12-17(18)14(2)3/h6-14,19H,5H2,1-4H3.
What are the key properties of ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate?
ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate has a molecular weight of 375.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2-propan-2-ylphenyl)-2-phenylselanylacetate is sourced from PubChem (CID 15180544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).