ethyl 2-(4-methylphenoxy)-2-phenylacetate

C17H18O3 — CID 103601098

IUPACethyl 2-(4-methylphenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H18O3/c1-3-19-17(18)16(14-7-5-4-6-8-14)20-15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3
InChIKeyVBSMMWCKFLCWED-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.68
Rot. Bonds5

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

ethyl 2-(4-methylphenoxy)-2-phenylacetate (PubChem CID 103601098) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(4-methylphenoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenoxy)-2-phenylacetate
PubChem CID103601098
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-(4-methylphenoxy)-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H18O3/c1-3-19-17(18)16(14-7-5-4-6-8-14)20-15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3
InChIKeyVBSMMWCKFLCWED-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate
CID 178149476
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-[[(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-2-phenylacetate
CID 6317866
ethyl 2-(3-cyanophenoxy)-2-phenylacetate
CID 103601165
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(4-methylphenoxy)-2-phenylacetate (CID 103601098) is ethyl 2-(4-methylphenoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4-methylphenoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(4-methylphenoxy)-2-phenylacetate is CCOC(=O)C(Oc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-(4-methylphenoxy)-2-phenylacetate?
The InChIKey is VBSMMWCKFLCWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-19-17(18)16(14-7-5-4-6-8-14)20-15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenoxy)-2-phenylacetate?
ethyl 2-(4-methylphenoxy)-2-phenylacetate has a molecular weight of 270.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenoxy)-2-phenylacetate is sourced from PubChem (CID 103601098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).