1-[1-(3-phenoxypropyl)indol-3-yl]ethanone

C19H19NO2 — CID 3155653

IUPAC1-[1-(3-phenoxypropyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCOc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-15(21)18-14-20(19-11-6-5-10-17(18)19)12-7-13-22-16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyYRDKLCGHJBJQAZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.31
Rot. Bonds6

About 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone

1-[1-(3-phenoxypropyl)indol-3-yl]ethanone (PubChem CID 3155653) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-phenoxypropyl)indol-3-yl]ethanone
PubChem CID3155653
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[1-(3-phenoxypropyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCOc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-15(21)18-14-20(19-11-6-5-10-17(18)19)12-7-13-22-16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyYRDKLCGHJBJQAZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 56841530
CID 56841530
CID 71604304
CID 71604304
CID 4302963
CID 4302963
CID 10547208
CID 10547208
CID 44397540
CID 44397540
CID 56463
CID 56463
CID 11493740
CID 11493740
CID 45272116
CID 45272116
CID 44397641
CID 44397641
CID 24753719
CID 24753719
CID 211017
CID 211017
CID 53394099
CID 53394099

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone?
The IUPAC name of 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone (CID 3155653) is 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone is CC(=O)c1cn(CCCOc2ccccc2)c2ccccc12.
What is the InChIKey of 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone?
The InChIKey is YRDKLCGHJBJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-15(21)18-14-20(19-11-6-5-10-17(18)19)12-7-13-22-16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3.
What are the key properties of 1-[1-(3-phenoxypropyl)indol-3-yl]ethanone?
1-[1-(3-phenoxypropyl)indol-3-yl]ethanone 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-(3-phenoxypropyl)indol-3-yl]ethanone is sourced from PubChem (CID 3155653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).