1-(2-methoxyethyl)indole-4-carboxylic acid

C12H13NO3 — CID 43316527

IUPAC1-(2-methoxyethyl)indole-4-carboxylic acid
SMILESCOCCn1ccc2c(C(=O)O)cccc21
InChIInChI=1S/C12H13NO3/c1-16-8-7-13-6-5-9-10(12(14)15)3-2-4-11(9)13/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyUHQHOMJUEMAPIT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-methoxyethyl)indole-4-carboxylic acid

1-(2-methoxyethyl)indole-4-carboxylic acid (PubChem CID 43316527) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)indole-4-carboxylic acid
PubChem CID43316527
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-(2-methoxyethyl)indole-4-carboxylic acid
SMILESCOCCn1ccc2c(C(=O)O)cccc21
InChIInChI=1S/C12H13NO3/c1-16-8-7-13-6-5-9-10(12(14)15)3-2-4-11(9)13/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyUHQHOMJUEMAPIT-UHFFFAOYSA-N
XLogP1.99
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)indole-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)indole-4-carboxylic acid (CID 43316527) is 1-(2-methoxyethyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)indole-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)indole-4-carboxylic acid is COCCn1ccc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)indole-4-carboxylic acid?
The InChIKey is UHQHOMJUEMAPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-8-7-13-6-5-9-10(12(14)15)3-2-4-11(9)13/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-(2-methoxyethyl)indole-4-carboxylic acid?
1-(2-methoxyethyl)indole-4-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)indole-4-carboxylic acid is sourced from PubChem (CID 43316527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).