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

C13H15NO5 — CID 21477668

IUPAC6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid
SMILESCC(OCCO)Oc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C13H15NO5/c1-8(18-5-4-15)19-10-3-2-9-6-12(13(16)17)14-11(9)7-10/h2-3,6-8,14-15H,4-5H2,1H3,(H,16,17)
InChIKeySPPFTJXGWZSBGX-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.60
Rot. Bonds6

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

6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid (PubChem CID 21477668) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid
PubChem CID21477668
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Name6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid
SMILESCC(OCCO)Oc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C13H15NO5/c1-8(18-5-4-15)19-10-3-2-9-6-12(13(16)17)14-11(9)7-10/h2-3,6-8,14-15H,4-5H2,1H3,(H,16,17)
InChIKeySPPFTJXGWZSBGX-UHFFFAOYSA-N
XLogP1.60
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
CID 21477653
methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate
CID 21477666
6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 3548668
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
6-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 33261446
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
6-(4-acetamido-1,2-dihydroxybutyl)-1H-indole-2-carboxylic acid
CID 171883879
6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
CID 39232374
methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 25148905
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid (CID 21477668) is 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid is CC(OCCO)Oc1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid?
The InChIKey is SPPFTJXGWZSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(18-5-4-15)19-10-3-2-9-6-12(13(16)17)14-11(9)7-10/h2-3,6-8,14-15H,4-5H2,1H3,(H,16,17).
What are the key properties of 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid?
6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 21477668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).