2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone

C20H21NO2 — CID 21380760

IUPAC2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
SMILESCCn1cc(C(=O)COc2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-4-21-12-17(16-7-5-6-8-18(16)21)19(22)13-23-20-11-14(2)9-10-15(20)3/h5-12H,4,13H2,1-3H3
InChIKeyVLKZWIXPLFLBRL-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.54
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone

2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone (PubChem CID 21380760) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
PubChem CID21380760
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
SMILESCCn1cc(C(=O)COc2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-4-21-12-17(16-7-5-6-8-18(16)21)19(22)13-23-20-11-14(2)9-10-15(20)3/h5-12H,4,13H2,1-3H3
InChIKeyVLKZWIXPLFLBRL-UHFFFAOYSA-N
XLogP4.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380761
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764
1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
CID 2213955
[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534925
3-[3-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]indol-1-yl]propanenitrile
CID 55312171
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 24520196
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone (CID 21380760) is 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone is CCn1cc(C(=O)COc2cc(C)ccc2C)c2ccccc21.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
The InChIKey is VLKZWIXPLFLBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-21-12-17(16-7-5-6-8-18(16)21)19(22)13-23-20-11-14(2)9-10-15(20)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone is sourced from PubChem (CID 21380760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).