ethyl 4-hydroxy-1H-indole-3-carboxylate

C11H11NO3 — CID 13186947

IUPACethyl 4-hydroxy-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cccc(O)c12
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)7-6-12-8-4-3-5-9(13)10(7)8/h3-6,12-13H,2H2,1H3
InChIKeyAXGVTBXXDXGLFG-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.05
Rot. Bonds2

About ethyl 4-hydroxy-1H-indole-3-carboxylate

ethyl 4-hydroxy-1H-indole-3-carboxylate (PubChem CID 13186947) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 4-hydroxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1H-indole-3-carboxylate
PubChem CID13186947
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 4-hydroxy-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cccc(O)c12
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)7-6-12-8-4-3-5-9(13)10(7)8/h3-6,12-13H,2H2,1H3
InChIKeyAXGVTBXXDXGLFG-UHFFFAOYSA-N
XLogP2.05
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 3-(2-nitroethenyl)-1H-indole-4-carboxylate
CID 54059630
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
(5-ethoxycarbonylthieno[3,2-b]thiophen-2-yl)methyl 4-chloro-1H-indole-3-carboxylate
CID 167801454
(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone
CID 155516110
ethyl 11-hydroxy-9-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,11-pentaene-12-carboxylate
CID 59985885
ethyl 5-cyano-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 2727486
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1H-indole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1H-indole-3-carboxylate (CID 13186947) is ethyl 4-hydroxy-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1H-indole-3-carboxylate is CCOC(=O)c1c[nH]c2cccc(O)c12.
What is the InChIKey of ethyl 4-hydroxy-1H-indole-3-carboxylate?
The InChIKey is AXGVTBXXDXGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-11(14)7-6-12-8-4-3-5-9(13)10(7)8/h3-6,12-13H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-1H-indole-3-carboxylate?
ethyl 4-hydroxy-1H-indole-3-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1H-indole-3-carboxylate is sourced from PubChem (CID 13186947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).