1-indol-1-yl-3-phenoxypropan-2-one

C17H15NO2 — CID 90966519

IUPAC1-indol-1-yl-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cn1ccc2ccccc21
InChIInChI=1S/C17H15NO2/c19-15(13-20-16-7-2-1-3-8-16)12-18-11-10-14-6-4-5-9-17(14)18/h1-11H,12-13H2
InChIKeyQWGDFNWAYLHSAV-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.29
Rot. Bonds5

About 1-indol-1-yl-3-phenoxypropan-2-one

1-indol-1-yl-3-phenoxypropan-2-one (PubChem CID 90966519) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-indol-1-yl-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-indol-1-yl-3-phenoxypropan-2-one
PubChem CID90966519
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-indol-1-yl-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cn1ccc2ccccc21
InChIInChI=1S/C17H15NO2/c19-15(13-20-16-7-2-1-3-8-16)12-18-11-10-14-6-4-5-9-17(14)18/h1-11H,12-13H2
InChIKeyQWGDFNWAYLHSAV-UHFFFAOYSA-N
XLogP3.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(4-methylphenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid
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2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
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3-(2-indol-1-ylethoxy)benzoic acid
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1-(benzotriazol-1-yl)-3-(4-phenoxyphenoxy)propan-2-one
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1-imidazol-1-yl-3-phenoxypropan-2-one
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ethane;2-indol-1-ylacetic acid;methanesulfonamide
CID 90844595
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CID 17080293
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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-3-phenoxypropan-2-one?
The IUPAC name of 1-indol-1-yl-3-phenoxypropan-2-one (CID 90966519) is 1-indol-1-yl-3-phenoxypropan-2-one.
What is the SMILES notation for 1-indol-1-yl-3-phenoxypropan-2-one?
The canonical SMILES for 1-indol-1-yl-3-phenoxypropan-2-one is O=C(COc1ccccc1)Cn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-3-phenoxypropan-2-one?
The InChIKey is QWGDFNWAYLHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-15(13-20-16-7-2-1-3-8-16)12-18-11-10-14-6-4-5-9-17(14)18/h1-11H,12-13H2.
What are the key properties of 1-indol-1-yl-3-phenoxypropan-2-one?
1-indol-1-yl-3-phenoxypropan-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-3-phenoxypropan-2-one is sourced from PubChem (CID 90966519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).