2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone

C19H17NO3 — CID 7763763

IUPAC2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1ccc(OCC(=O)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17NO3/c1-12-19(16-5-3-4-6-17(16)20-12)18(22)11-23-15-9-7-14(8-10-15)13(2)21/h3-10,20H,11H2,1-2H3
InChIKeyMDKHOMFWIPJBIS-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone

2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 7763763) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID7763763
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1ccc(OCC(=O)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17NO3/c1-12-19(16-5-3-4-6-17(16)20-12)18(22)11-23-15-9-7-14(8-10-15)13(2)21/h3-10,20H,11H2,1-2H3
InChIKeyMDKHOMFWIPJBIS-UHFFFAOYSA-N
XLogP3.94
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7751372
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791394
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821333
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16958586
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
CID 37238310
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209430
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 7043789
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903037
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylbutanoate
CID 47003724
2-(3-acetylpyridin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 8830395

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 7763763) is 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone is CC(=O)c1ccc(OCC(=O)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is MDKHOMFWIPJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-19(16-5-3-4-6-17(16)20-12)18(22)11-23-15-9-7-14(8-10-15)13(2)21/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 7763763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).