ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate

C14H16ClNO3 — CID 115073244

IUPACethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cn(CC)c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO3/c1-3-16-8-11(13(17)14(18)19-4-2)10-7-9(15)5-6-12(10)16/h5-8,13,17H,3-4H2,1-2H3
InChIKeyTUORXMGQDNWUNZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate

ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate (PubChem CID 115073244) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
PubChem CID115073244
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Nameethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cn(CC)c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO3/c1-3-16-8-11(13(17)14(18)19-4-2)10-7-9(15)5-6-12(10)16/h5-8,13,17H,3-4H2,1-2H3
InChIKeyTUORXMGQDNWUNZ-UHFFFAOYSA-N
XLogP2.91
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate (CID 115073244) is ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cn(CC)c2ccc(Cl)cc12.
What is the InChIKey of ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate?
The InChIKey is TUORXMGQDNWUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-3-16-8-11(13(17)14(18)19-4-2)10-7-9(15)5-6-12(10)16/h5-8,13,17H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate?
ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate has a molecular weight of 281.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 115073244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).