ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate

C20H22O5 — CID 129391195

IUPACethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
SMILESCCOC(=O)[C@@H](O[C@H](C(=O)OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O5/c1-3-23-19(21)17(15-11-7-5-8-12-15)25-18(20(22)24-4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3/t17-,18-/m0/s1
InChIKeyXHSDLVJIEUBGQN-ROUUACIJSA-N
MW342.39 g/mol
LogP3.61
Rot. Bonds8

About ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate

ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate (PubChem CID 129391195) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
PubChem CID129391195
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Nameethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
SMILESCCOC(=O)[C@@H](O[C@H](C(=O)OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O5/c1-3-23-19(21)17(15-11-7-5-8-12-15)25-18(20(22)24-4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3/t17-,18-/m0/s1
InChIKeyXHSDLVJIEUBGQN-ROUUACIJSA-N
XLogP3.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate (CID 129391195) is ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate is CCOC(=O)[C@@H](O[C@H](C(=O)OCC)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate?
The InChIKey is XHSDLVJIEUBGQN-ROUUACIJSA-N. The full InChI is InChI=1S/C20H22O5/c1-3-23-19(21)17(15-11-7-5-8-12-15)25-18(20(22)24-4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate?
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate has a molecular weight of 342.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate is sourced from PubChem (CID 129391195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).