1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one

C19H19NO2 — CID 955267

IUPAC1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-2-19(21)17-14-20(18-11-7-6-10-16(17)18)12-13-22-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3
InChIKeyBWRLNVHRZLBPMA-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.31
Rot. Bonds6

About 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one

1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one (PubChem CID 955267) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
PubChem CID955267
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-2-19(21)17-14-20(18-11-7-6-10-16(17)18)12-13-22-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3
InChIKeyBWRLNVHRZLBPMA-UHFFFAOYSA-N
XLogP4.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
[1-(2-phenoxyethyl)indol-3-yl]-pyrrolidin-1-ylmethanethione
CID 1324805
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
cyclopropyl-[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methanone
CID 5043390
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
4-[(3-propanoylindol-1-yl)methyl]benzonitrile
CID 955249

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one?
The IUPAC name of 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one (CID 955267) is 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one is CCC(=O)c1cn(CCOc2ccccc2)c2ccccc12.
What is the InChIKey of 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one?
The InChIKey is BWRLNVHRZLBPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-19(21)17-14-20(18-11-7-6-10-16(17)18)12-13-22-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one?
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one is sourced from PubChem (CID 955267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).