ethyl 2-(4-methoxyindol-1-yl)acetate

C13H15NO3 — CID 83162389

IUPACethyl 2-(4-methoxyindol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(OC)cccc21
InChIInChI=1S/C13H15NO3/c1-3-17-13(15)9-14-8-7-10-11(14)5-4-6-12(10)16-2/h4-8H,3,9H2,1-2H3
InChIKeyCFENWKKILTXSEX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-(4-methoxyindol-1-yl)acetate

ethyl 2-(4-methoxyindol-1-yl)acetate (PubChem CID 83162389) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 2-(4-methoxyindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyindol-1-yl)acetate
PubChem CID83162389
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-(4-methoxyindol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(OC)cccc21
InChIInChI=1S/C13H15NO3/c1-3-17-13(15)9-14-8-7-10-11(14)5-4-6-12(10)16-2/h4-8H,3,9H2,1-2H3
InChIKeyCFENWKKILTXSEX-UHFFFAOYSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
ethyl 2-(4-selanylidenequinolin-1-yl)acetate
CID 11109160
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
CID 83164594
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
CID 83162814
1-heptyl-4-methoxyindole
CID 83174164
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyindol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-methoxyindol-1-yl)acetate (CID 83162389) is ethyl 2-(4-methoxyindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methoxyindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-methoxyindol-1-yl)acetate is CCOC(=O)Cn1ccc2c(OC)cccc21.
What is the InChIKey of ethyl 2-(4-methoxyindol-1-yl)acetate?
The InChIKey is CFENWKKILTXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(15)9-14-8-7-10-11(14)5-4-6-12(10)16-2/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyindol-1-yl)acetate?
ethyl 2-(4-methoxyindol-1-yl)acetate has a molecular weight of 233.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyindol-1-yl)acetate is sourced from PubChem (CID 83162389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).