1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone

C14H17NO2 — CID 122520582

IUPAC1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone
SMILESCCOc1ccc2c(cc(C)n2C(C)=O)c1C
InChIInChI=1S/C14H17NO2/c1-5-17-14-7-6-13-12(10(14)3)8-9(2)15(13)11(4)16/h6-8H,5H2,1-4H3
InChIKeyFWULCAUFDHSDHU-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.32
Rot. Bonds2

About 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone

1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone (PubChem CID 122520582) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone
PubChem CID122520582
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone
SMILESCCOc1ccc2c(cc(C)n2C(C)=O)c1C
InChIInChI=1S/C14H17NO2/c1-5-17-14-7-6-13-12(10(14)3)8-9(2)15(13)11(4)16/h6-8H,5H2,1-4H3
InChIKeyFWULCAUFDHSDHU-UHFFFAOYSA-N
XLogP3.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diethoxy-3-methylphenol
CID 11030728
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
CID 171013572
1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 82053698
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
CID 83939803
bis(3,4-diethoxyphenyl)methanone
CID 135325793
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 10401684
1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193638
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone?
The IUPAC name of 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone (CID 122520582) is 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone?
The canonical SMILES for 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone is CCOc1ccc2c(cc(C)n2C(C)=O)c1C.
What is the InChIKey of 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone?
The InChIKey is FWULCAUFDHSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-17-14-7-6-13-12(10(14)3)8-9(2)15(13)11(4)16/h6-8H,5H2,1-4H3.
What are the key properties of 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone?
1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone is sourced from PubChem (CID 122520582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).