methyl 1-(ethoxymethyl)indole-4-carboxylate

C13H15NO3 — CID 67468002

IUPACmethyl 1-(ethoxymethyl)indole-4-carboxylate
SMILESCCOCn1ccc2c(C(=O)OC)cccc21
InChIInChI=1S/C13H15NO3/c1-3-17-9-14-8-7-10-11(13(15)16-2)5-4-6-12(10)14/h4-8H,3,9H2,1-2H3
InChIKeyWLXHOUXPFRVJPW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.42
Rot. Bonds4

About methyl 1-(ethoxymethyl)indole-4-carboxylate

methyl 1-(ethoxymethyl)indole-4-carboxylate (PubChem CID 67468002) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 1-(ethoxymethyl)indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethoxymethyl)indole-4-carboxylate
PubChem CID67468002
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 1-(ethoxymethyl)indole-4-carboxylate
SMILESCCOCn1ccc2c(C(=O)OC)cccc21
InChIInChI=1S/C13H15NO3/c1-3-17-9-14-8-7-10-11(13(15)16-2)5-4-6-12(10)14/h4-8H,3,9H2,1-2H3
InChIKeyWLXHOUXPFRVJPW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(ethoxymethyl)indole-4-carboxylate 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

1-(ethoxymethyl)indole-4-carbaldehyde
CID 65369266
methyl 1-[(4-nitrophenyl)methyl]indole-4-carboxylate
CID 69435489
methyl 2-[(4-bromoindol-1-yl)methyl]benzoate
CID 82959434
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
methyl 2-[(4-chloroindol-1-yl)methyl]benzoate
CID 82954358
methyl 1-(3-ethoxy-5-fluorophenyl)indole-4-carboxylate
CID 178035470
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
1-(3-methoxy-2,2-dimethyl-3-oxopropyl)indole-4-carboxylic acid
CID 79619823
methyl 3-amino-2-(2-ethoxyethoxy)benzoate
CID 112579638
methyl 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]indole-4-carboxylate
CID 129068902

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethoxymethyl)indole-4-carboxylate?
The IUPAC name of methyl 1-(ethoxymethyl)indole-4-carboxylate (CID 67468002) is methyl 1-(ethoxymethyl)indole-4-carboxylate.
What is the SMILES notation for methyl 1-(ethoxymethyl)indole-4-carboxylate?
The canonical SMILES for methyl 1-(ethoxymethyl)indole-4-carboxylate is CCOCn1ccc2c(C(=O)OC)cccc21.
What is the InChIKey of methyl 1-(ethoxymethyl)indole-4-carboxylate?
The InChIKey is WLXHOUXPFRVJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-9-14-8-7-10-11(13(15)16-2)5-4-6-12(10)14/h4-8H,3,9H2,1-2H3.
What are the key properties of methyl 1-(ethoxymethyl)indole-4-carboxylate?
methyl 1-(ethoxymethyl)indole-4-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethoxymethyl)indole-4-carboxylate is sourced from PubChem (CID 67468002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).