ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate

C13H15NO3 — CID 68691266

IUPACethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CCO)ccc2[nH]1
InChIInChI=1S/C13H15NO3/c1-2-17-13(16)12-8-10-7-9(5-6-15)3-4-11(10)14-12/h3-4,7-8,14-15H,2,5-6H2,1H3
InChIKeyXGDFIWVNWGCPOP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.88
Rot. Bonds4

About ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate

ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate (PubChem CID 68691266) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
PubChem CID68691266
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CCO)ccc2[nH]1
InChIInChI=1S/C13H15NO3/c1-2-17-13(16)12-8-10-7-9(5-6-15)3-4-11(10)14-12/h3-4,7-8,14-15H,2,5-6H2,1H3
InChIKeyXGDFIWVNWGCPOP-UHFFFAOYSA-N
XLogP1.88
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
CID 14476307
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
ethyl 5-(4-aminophenyl)sulfanyl-1H-indole-2-carboxylate
CID 10247192
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
CID 68700480

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate (CID 68691266) is ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(CCO)ccc2[nH]1.
What is the InChIKey of ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate?
The InChIKey is XGDFIWVNWGCPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-17-13(16)12-8-10-7-9(5-6-15)3-4-11(10)14-12/h3-4,7-8,14-15H,2,5-6H2,1H3.
What are the key properties of ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate?
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 68691266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).