5-ethoxy-3-methyl-1H-indole

C11H13NO — CID 82490542

IUPAC5-ethoxy-3-methyl-1H-indole
SMILESCCOc1ccc2[nH]cc(C)c2c1
InChIInChI=1S/C11H13NO/c1-3-13-9-4-5-11-10(6-9)8(2)7-12-11/h4-7,12H,3H2,1-2H3
InChIKeyZUKLRKZWVAJILF-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.88
Rot. Bonds2

About 5-ethoxy-3-methyl-1H-indole

5-ethoxy-3-methyl-1H-indole (PubChem CID 82490542) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-methyl-1H-indole
PubChem CID82490542
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-ethoxy-3-methyl-1H-indole
SMILESCCOc1ccc2[nH]cc(C)c2c1
InChIInChI=1S/C11H13NO/c1-3-13-9-4-5-11-10(6-9)8(2)7-12-11/h4-7,12H,3H2,1-2H3
InChIKeyZUKLRKZWVAJILF-UHFFFAOYSA-N
XLogP2.88
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
3-methyl-5-phenoxy-1H-indole
CID 82494590
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
3,5-dimethyl-1H-indole
CID 142943492
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278313
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
2,7-diethoxy-10H-acridin-9-one
CID 163923657
(2S)-2-amino-3-(5-ethoxy-1H-indol-3-yl)propanoic acid
CID 131887373
[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
CID 95432584

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-1H-indole?
The IUPAC name of 5-ethoxy-3-methyl-1H-indole (CID 82490542) is 5-ethoxy-3-methyl-1H-indole.
What is the SMILES notation for 5-ethoxy-3-methyl-1H-indole?
The canonical SMILES for 5-ethoxy-3-methyl-1H-indole is CCOc1ccc2[nH]cc(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-1H-indole?
The InChIKey is ZUKLRKZWVAJILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-13-9-4-5-11-10(6-9)8(2)7-12-11/h4-7,12H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-methyl-1H-indole?
5-ethoxy-3-methyl-1H-indole has a molecular weight of 175.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-1H-indole is sourced from PubChem (CID 82490542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).