methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate

C16H21NO5 — CID 166518412

IUPACmethyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
SMILESCOCCOc1ccc2c(c1)cc(C(=O)OC)n2CCOC
InChIInChI=1S/C16H21NO5/c1-19-7-6-17-14-5-4-13(22-9-8-20-2)10-12(14)11-15(17)16(18)21-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyUVRAUDRMDDKGNE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.10
Rot. Bonds8

About methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate

methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate (PubChem CID 166518412) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
PubChem CID166518412
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
SMILESCOCCOc1ccc2c(c1)cc(C(=O)OC)n2CCOC
InChIInChI=1S/C16H21NO5/c1-19-7-6-17-14-5-4-13(22-9-8-20-2)10-12(14)11-15(17)16(18)21-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyUVRAUDRMDDKGNE-UHFFFAOYSA-N
XLogP2.10
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate?
The IUPAC name of methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate (CID 166518412) is methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate?
The canonical SMILES for methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate is COCCOc1ccc2c(c1)cc(C(=O)OC)n2CCOC.
What is the InChIKey of methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate?
The InChIKey is UVRAUDRMDDKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-19-7-6-17-14-5-4-13(22-9-8-20-2)10-12(14)11-15(17)16(18)21-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate?
methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate is sourced from PubChem (CID 166518412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).