methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate

C14H17NO3 — CID 91334218

IUPACmethyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate
SMILESCCOCCc1cc(C(=O)OC)cc2[nH]ccc12
InChIInChI=1S/C14H17NO3/c1-3-18-7-5-10-8-11(14(16)17-2)9-13-12(10)4-6-15-13/h4,6,8-9,15H,3,5,7H2,1-2H3
InChIKeyRWPNSONOBUPJQM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.53
Rot. Bonds5

About methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate

methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate (PubChem CID 91334218) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate
PubChem CID91334218
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate
SMILESCCOCCc1cc(C(=O)OC)cc2[nH]ccc12
InChIInChI=1S/C14H17NO3/c1-3-18-7-5-10-8-11(14(16)17-2)9-13-12(10)4-6-15-13/h4,6,8-9,15H,3,5,7H2,1-2H3
InChIKeyRWPNSONOBUPJQM-UHFFFAOYSA-N
XLogP2.53
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
ethanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 175802798
methyl 3-[(1H-indol-4-ylmethylcarbamoylamino)methyl]-4-methylbenzoate
CID 166389016
methyl 4-(4-chlorobutanoylamino)-1H-indole-6-carboxylate
CID 69359458
methanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 174921301
methyl 6-hydroxy-1H-indole-4-carboxylate
CID 76846746
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
ethyl 6-benzoyl-1H-indole-4-carboxylate
CID 135007756
methyl 5-chloro-2-(1H-indol-4-ylmethyl)benzoate
CID 161242835
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate (CID 91334218) is methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate is CCOCCc1cc(C(=O)OC)cc2[nH]ccc12.
What is the InChIKey of methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate?
The InChIKey is RWPNSONOBUPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-18-7-5-10-8-11(14(16)17-2)9-13-12(10)4-6-15-13/h4,6,8-9,15H,3,5,7H2,1-2H3.
What are the key properties of methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate?
methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 91334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).