ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate

C17H18O3S — CID 106676827

IUPACethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccc(SC)cc1)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-3-19-17(18)16(13-7-5-4-6-8-13)20-14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3
InChIKeyHDEALRZOXQAWLU-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.09
Rot. Bonds6

About ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate

ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate (PubChem CID 106676827) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
PubChem CID106676827
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Nameethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccc(SC)cc1)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-3-19-17(18)16(13-7-5-4-6-8-13)20-14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3
InChIKeyHDEALRZOXQAWLU-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-(3-cyanophenoxy)-2-phenylacetate
CID 103601165
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
ethyl 2-methyl-3-(4-methylsulfanylphenyl)propanoate
CID 141007398

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate (CID 106676827) is ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate is CCOC(=O)C(Oc1ccc(SC)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate?
The InChIKey is HDEALRZOXQAWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-3-19-17(18)16(13-7-5-4-6-8-13)20-14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate?
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate has a molecular weight of 302.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate is sourced from PubChem (CID 106676827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).