ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate

C14H17NO3 — CID 618997

IUPACethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CC)c2ccc(O)cc12
InChIInChI=1S/C14H17NO3/c1-4-15-9(3)13(14(17)18-5-2)11-8-10(16)6-7-12(11)15/h6-8,16H,4-5H2,1-3H3
InChIKeyFXMYTLXTYCIQED-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.85
Rot. Bonds3

About ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate

ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate (PubChem CID 618997) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate
PubChem CID618997
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CC)c2ccc(O)cc12
InChIInChI=1S/C14H17NO3/c1-4-15-9(3)13(14(17)18-5-2)11-8-10(16)6-7-12(11)15/h6-8,16H,4-5H2,1-3H3
InChIKeyFXMYTLXTYCIQED-UHFFFAOYSA-N
XLogP2.85
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate (CID 618997) is ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(CC)c2ccc(O)cc12.
What is the InChIKey of ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate?
The InChIKey is FXMYTLXTYCIQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-15-9(3)13(14(17)18-5-2)11-8-10(16)6-7-12(11)15/h6-8,16H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate?
ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 618997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).