4-(ethoxymethyl)-2-methyl-1H-indole

C12H15NO — CID 122222423

IUPAC4-(ethoxymethyl)-2-methyl-1H-indole
SMILESCCOCc1cccc2[nH]c(C)cc12
InChIInChI=1S/C12H15NO/c1-3-14-8-10-5-4-6-12-11(10)7-9(2)13-12/h4-7,13H,3,8H2,1-2H3
InChIKeyJIGKHLBMYBOVCR-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.01
Rot. Bonds3

About 4-(ethoxymethyl)-2-methyl-1H-indole

4-(ethoxymethyl)-2-methyl-1H-indole (PubChem CID 122222423) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methyl-1H-indole.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methyl-1H-indole
PubChem CID122222423
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(ethoxymethyl)-2-methyl-1H-indole
SMILESCCOCc1cccc2[nH]c(C)cc12
InChIInChI=1S/C12H15NO/c1-3-14-8-10-5-4-6-12-11(10)7-9(2)13-12/h4-7,13H,3,8H2,1-2H3
InChIKeyJIGKHLBMYBOVCR-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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methyl-1H-indole?
The IUPAC name of 4-(ethoxymethyl)-2-methyl-1H-indole (CID 122222423) is 4-(ethoxymethyl)-2-methyl-1H-indole.
What is the SMILES notation for 4-(ethoxymethyl)-2-methyl-1H-indole?
The canonical SMILES for 4-(ethoxymethyl)-2-methyl-1H-indole is CCOCc1cccc2[nH]c(C)cc12.
What is the InChIKey of 4-(ethoxymethyl)-2-methyl-1H-indole?
The InChIKey is JIGKHLBMYBOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-14-8-10-5-4-6-12-11(10)7-9(2)13-12/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-2-methyl-1H-indole?
4-(ethoxymethyl)-2-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 4-(ethoxymethyl)-2-methyl-1H-indole is sourced from PubChem (CID 122222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).