2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone

C26H23NO3 — CID 7539637

IUPAC2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)COc2ccccc2C(C)=O)c2ccccc21
InChIInChI=1S/C26H23NO3/c1-3-27-22-15-9-7-14-21(22)25(26(27)19-11-5-4-6-12-19)23(29)17-30-24-16-10-8-13-20(24)18(2)28/h4-16H,3,17H2,1-2H3
InChIKeyAIJWWMUKGFKQSQ-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.79
Rot. Bonds7

About 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone

2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone (PubChem CID 7539637) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
PubChem CID7539637
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)COc2ccccc2C(C)=O)c2ccccc21
InChIInChI=1S/C26H23NO3/c1-3-27-22-15-9-7-14-21(22)25(26(27)19-11-5-4-6-12-19)23(29)17-30-24-16-10-8-13-20(24)18(2)28/h4-16H,3,17H2,1-2H3
InChIKeyAIJWWMUKGFKQSQ-UHFFFAOYSA-N
XLogP5.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-2-phenylindol-3-yl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 2108508
2-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethoxy]benzamide
CID 7679661
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7259398
N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide
CID 72684363
1-(1-ethyl-2-phenylindol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone
CID 8877422
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2406607
2-(3-ethenylbenzimidazol-1-ium-1-yl)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 8855216
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 4836979
1-(1-ethyl-2-phenylindol-3-yl)-2-[10-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-4,7,13,16-tetraphenylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyn-1-yl]ethanone
CID 102102276
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
2-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3295430

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The IUPAC name of 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone (CID 7539637) is 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone.
What is the SMILES notation for 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The canonical SMILES for 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone is CCn1c(-c2ccccc2)c(C(=O)COc2ccccc2C(C)=O)c2ccccc21.
What is the InChIKey of 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The InChIKey is AIJWWMUKGFKQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-3-27-22-15-9-7-14-21(22)25(26(27)19-11-5-4-6-12-19)23(29)17-30-24-16-10-8-13-20(24)18(2)28/h4-16H,3,17H2,1-2H3.
What are the key properties of 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone has a molecular weight of 397.47 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone is sourced from PubChem (CID 7539637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).