ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate

C18H17NO3 — CID 53467683

IUPACethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate
SMILESCCOC(=O)[C@@](O)(c1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17NO3/c1-2-22-17(20)18(21,14-9-4-3-5-10-14)16-12-13-8-6-7-11-15(13)19-16/h3-12,19,21H,2H2,1H3/t18-/m1/s1
InChIKeyVBKXOWGPMCYJNZ-GOSISDBHSA-N
MW295.34 g/mol
LogP2.97
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate

ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate (PubChem CID 53467683) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate
PubChem CID53467683
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate
SMILESCCOC(=O)[C@@](O)(c1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17NO3/c1-2-22-17(20)18(21,14-9-4-3-5-10-14)16-12-13-8-6-7-11-15(13)19-16/h3-12,19,21H,2H2,1H3/t18-/m1/s1
InChIKeyVBKXOWGPMCYJNZ-GOSISDBHSA-N
XLogP2.97
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate (CID 53467683) is ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate is CCOC(=O)[C@@](O)(c1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate?
The InChIKey is VBKXOWGPMCYJNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-22-17(20)18(21,14-9-4-3-5-10-14)16-12-13-8-6-7-11-15(13)19-16/h3-12,19,21H,2H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate?
ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate has a molecular weight of 295.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate is sourced from PubChem (CID 53467683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).