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

C15H19NO6 — CID 21477653

IUPAC6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
SMILESCC(OCCOCCO)Oc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C15H19NO6/c1-10(21-7-6-20-5-4-17)22-12-3-2-11-8-14(15(18)19)16-13(11)9-12/h2-3,8-10,16-17H,4-7H2,1H3,(H,18,19)
InChIKeyKRNCWQKRAZAQEO-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.62
Rot. Bonds9

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

6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid (PubChem CID 21477653) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
PubChem CID21477653
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
SMILESCC(OCCOCCO)Oc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C15H19NO6/c1-10(21-7-6-20-5-4-17)22-12-3-2-11-8-14(15(18)19)16-13(11)9-12/h2-3,8-10,16-17H,4-7H2,1H3,(H,18,19)
InChIKeyKRNCWQKRAZAQEO-UHFFFAOYSA-N
XLogP1.62
TPSA101.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid
CID 21477668
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
2-[2-[1-[4-[bis[4-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 58876667
6-sulfamoyl-1H-indole-2-carboxylic acid
CID 66925507
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-(2-carboxyethenyl)-1H-indole-2-carboxylic acid
CID 169460952
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid (CID 21477653) is 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid is CC(OCCOCCO)Oc1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid?
The InChIKey is KRNCWQKRAZAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-10(21-7-6-20-5-4-17)22-12-3-2-11-8-14(15(18)19)16-13(11)9-12/h2-3,8-10,16-17H,4-7H2,1H3,(H,18,19).
What are the key properties of 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid?
6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 21477653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).