1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid

C13H15NO4 — CID 63748417

IUPAC1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CCOCCO)c2c1
InChIInChI=1S/C13H15NO4/c15-6-8-18-7-5-14-4-3-10-1-2-11(13(16)17)9-12(10)14/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyAUAMMQZYVPMBMR-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.35
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid

1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid (PubChem CID 63748417) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
PubChem CID63748417
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CCOCCO)c2c1
InChIInChI=1S/C13H15NO4/c15-6-8-18-7-5-14-4-3-10-1-2-11(13(16)17)9-12(10)14/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyAUAMMQZYVPMBMR-UHFFFAOYSA-N
XLogP1.35
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylbutoxy)ethyl]indole-6-carboxylic acid
CID 63748611
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
1-but-3-ynylindole-6-carboxylic acid
CID 63750392
1-pent-3-ynylindole-6-carboxylic acid
CID 104808364
1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid
CID 82899150
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802
1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
1-(2-propan-2-ylsulfonylethyl)indole-6-carboxylic acid
CID 106716870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid (CID 63748417) is 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid is O=C(O)c1ccc2ccn(CCOCCO)c2c1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid?
The InChIKey is AUAMMQZYVPMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-6-8-18-7-5-14-4-3-10-1-2-11(13(16)17)9-12(10)14/h1-4,9,15H,5-8H2,(H,16,17).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid?
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid is sourced from PubChem (CID 63748417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).