3-(ethoxymethyl)-7-methyl-1H-indole

C12H15NO — CID 117186252

IUPAC3-(ethoxymethyl)-7-methyl-1H-indole
SMILESCCOCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C12H15NO/c1-3-14-8-10-7-13-12-9(2)5-4-6-11(10)12/h4-7,13H,3,8H2,1-2H3
InChIKeyZTUNOMHBDBSDAE-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.01
Rot. Bonds3

About 3-(ethoxymethyl)-7-methyl-1H-indole

3-(ethoxymethyl)-7-methyl-1H-indole (PubChem CID 117186252) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(ethoxymethyl)-7-methyl-1H-indole.

Molecular Properties

Compound Name3-(ethoxymethyl)-7-methyl-1H-indole
PubChem CID117186252
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(ethoxymethyl)-7-methyl-1H-indole
SMILESCCOCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C12H15NO/c1-3-14-8-10-7-13-12-9(2)5-4-6-11(10)12/h4-7,13H,3,8H2,1-2H3
InChIKeyZTUNOMHBDBSDAE-UHFFFAOYSA-N
XLogP3.01
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(ethoxymethyl)-7-methyl-1H-indole 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

7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
CID 170339447
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-7-methyl-1H-indole?
The IUPAC name of 3-(ethoxymethyl)-7-methyl-1H-indole (CID 117186252) is 3-(ethoxymethyl)-7-methyl-1H-indole.
What is the SMILES notation for 3-(ethoxymethyl)-7-methyl-1H-indole?
The canonical SMILES for 3-(ethoxymethyl)-7-methyl-1H-indole is CCOCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 3-(ethoxymethyl)-7-methyl-1H-indole?
The InChIKey is ZTUNOMHBDBSDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-14-8-10-7-13-12-9(2)5-4-6-11(10)12/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-7-methyl-1H-indole?
3-(ethoxymethyl)-7-methyl-1H-indole has a molecular weight of 189.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-7-methyl-1H-indole is sourced from PubChem (CID 117186252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).