4-ethoxy-1H-indole-2-carboxylic acid

C11H11NO3 — CID 4203428

IUPAC4-ethoxy-1H-indole-2-carboxylic acid
SMILESCCOc1cccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyLJWIZTFZBBEWOJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.26
Rot. Bonds3

About 4-ethoxy-1H-indole-2-carboxylic acid

4-ethoxy-1H-indole-2-carboxylic acid (PubChem CID 4203428) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-ethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethoxy-1H-indole-2-carboxylic acid
PubChem CID4203428
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-ethoxy-1H-indole-2-carboxylic acid
SMILESCCOc1cccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyLJWIZTFZBBEWOJ-UHFFFAOYSA-N
XLogP2.26
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-ethoxy-1H-indole-2-carboxylic acid (CID 4203428) is 4-ethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-ethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-ethoxy-1H-indole-2-carboxylic acid is CCOc1cccc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-ethoxy-1H-indole-2-carboxylic acid?
The InChIKey is LJWIZTFZBBEWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14).
What are the key properties of 4-ethoxy-1H-indole-2-carboxylic acid?
4-ethoxy-1H-indole-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 4203428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).