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

C11H11NO3 — CID 4595386

IUPAC6-ethoxy-1H-indole-2-carboxylic acid
SMILESCCOc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-2-15-8-4-3-7-5-10(11(13)14)12-9(7)6-8/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyRIDHVMSRVAXQTA-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.26
Rot. Bonds3

About 6-ethoxy-1H-indole-2-carboxylic acid

6-ethoxy-1H-indole-2-carboxylic acid (PubChem CID 4595386) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6-ethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-1H-indole-2-carboxylic acid
PubChem CID4595386
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6-ethoxy-1H-indole-2-carboxylic acid
SMILESCCOc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-2-15-8-4-3-7-5-10(11(13)14)12-9(7)6-8/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyRIDHVMSRVAXQTA-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 6-ethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 6-ethoxy-1H-indole-2-carboxylic acid (CID 4595386) is 6-ethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-ethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-ethoxy-1H-indole-2-carboxylic acid is CCOc1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-ethoxy-1H-indole-2-carboxylic acid?
The InChIKey is RIDHVMSRVAXQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-8-4-3-7-5-10(11(13)14)12-9(7)6-8/h3-6,12H,2H2,1H3,(H,13,14).
What are the key properties of 6-ethoxy-1H-indole-2-carboxylic acid?
6-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 6-ethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 4595386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).