ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate

C14H17NO3 — CID 84741855

IUPACethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2c(C)cc(OC)cc12
InChIInChI=1S/C14H17NO3/c1-4-18-13(16)6-10-8-15-14-9(2)5-11(17-3)7-12(10)14/h5,7-8,15H,4,6H2,1-3H3
InChIKeyJSVCMAZAQYHWLR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate

ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate (PubChem CID 84741855) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
PubChem CID84741855
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2c(C)cc(OC)cc12
InChIInChI=1S/C14H17NO3/c1-4-18-13(16)6-10-8-15-14-9(2)5-11(17-3)7-12(10)14/h5,7-8,15H,4,6H2,1-3H3
InChIKeyJSVCMAZAQYHWLR-UHFFFAOYSA-N
XLogP2.59
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
CID 137332496
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
CID 137332505
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 168946806
ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
CID 168930983
ethyl 2-(2-amino-5-methoxy-3-pyridinyl)acetate
CID 170599003
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 168946827
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84632477
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate (CID 84741855) is ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate is CCOC(=O)Cc1c[nH]c2c(C)cc(OC)cc12.
What is the InChIKey of ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate?
The InChIKey is JSVCMAZAQYHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-18-13(16)6-10-8-15-14-9(2)5-11(17-3)7-12(10)14/h5,7-8,15H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate?
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate has a molecular weight of 247.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 84741855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).