methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate

C16H21NO6 — CID 21477666

IUPACmethyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(OC(C)OCCOCCO)cc2[nH]1
InChIInChI=1S/C16H21NO6/c1-11(22-8-7-21-6-5-18)23-13-4-3-12-9-15(16(19)20-2)17-14(12)10-13/h3-4,9-11,17-18H,5-8H2,1-2H3
InChIKeyYZJSLHCUXWXYOB-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.70
Rot. Bonds9

About methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate

methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate (PubChem CID 21477666) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate
PubChem CID21477666
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Namemethyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(OC(C)OCCOCCO)cc2[nH]1
InChIInChI=1S/C16H21NO6/c1-11(22-8-7-21-6-5-18)23-13-4-3-12-9-15(16(19)20-2)17-14(12)10-13/h3-4,9-11,17-18H,5-8H2,1-2H3
InChIKeyYZJSLHCUXWXYOB-UHFFFAOYSA-N
XLogP1.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
CID 21477653
6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid
CID 21477668
methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 25148905
(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
CID 165084433
3-(2-methoxycarbonyl-1H-indol-6-yl)prop-2-enoic acid
CID 169461056
methyl 6-(4-bromobut-1-enyl)-1H-indole-2-carboxylate
CID 170498387
3,4-dihydroxy-4-(2-methoxycarbonyl-1H-indol-6-yl)butanoic acid
CID 171878661
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
6-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 33261446
6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 3548668
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate (CID 21477666) is methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate is COC(=O)c1cc2ccc(OC(C)OCCOCCO)cc2[nH]1.
What is the InChIKey of methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate?
The InChIKey is YZJSLHCUXWXYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-11(22-8-7-21-6-5-18)23-13-4-3-12-9-15(16(19)20-2)17-14(12)10-13/h3-4,9-11,17-18H,5-8H2,1-2H3.
What are the key properties of methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate?
methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate is sourced from PubChem (CID 21477666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).