1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone

C19H19NO2 — CID 21380759

IUPAC1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
SMILESCCn1cc(C(=O)COc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-3-20-12-17(16-6-4-5-7-18(16)20)19(21)13-22-15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3
InChIKeyRKONUCUBGSYTHV-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.23
Rot. Bonds5

About 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone

1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 21380759) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
PubChem CID21380759
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
SMILESCCn1cc(C(=O)COc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-3-20-12-17(16-6-4-5-7-18(16)20)19(21)13-22-15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3
InChIKeyRKONUCUBGSYTHV-UHFFFAOYSA-N
XLogP4.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380761
2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380760
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 3978712
cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
CID 5043390
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
tert-butyl 1-[2-hydroxy-3-(4-methylphenoxy)propyl]indole-3-carboxylate
CID 70966463
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
CID 142695112
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone (CID 21380759) is 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone is CCn1cc(C(=O)COc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is RKONUCUBGSYTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-20-12-17(16-6-4-5-7-18(16)20)19(21)13-22-15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone?
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 293.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 21380759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).