1-[2-(2-indol-1-ylethoxy)phenyl]ethanone

C18H17NO2 — CID 62025183

IUPAC1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCn1ccc2ccccc21
InChIInChI=1S/C18H17NO2/c1-14(20)16-7-3-5-9-18(16)21-13-12-19-11-10-15-6-2-4-8-17(15)19/h2-11H,12-13H2,1H3
InChIKeyMNYQIKGIHNZENM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone

1-[2-(2-indol-1-ylethoxy)phenyl]ethanone (PubChem CID 62025183) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
PubChem CID62025183
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCn1ccc2ccccc21
InChIInChI=1S/C18H17NO2/c1-14(20)16-7-3-5-9-18(16)21-13-12-19-11-10-15-6-2-4-8-17(15)19/h2-11H,12-13H2,1H3
InChIKeyMNYQIKGIHNZENM-UHFFFAOYSA-N
XLogP3.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-indol-1-ylethoxy)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone (CID 62025183) is 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone is CC(=O)c1ccccc1OCCn1ccc2ccccc21.
What is the InChIKey of 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone?
The InChIKey is MNYQIKGIHNZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14(20)16-7-3-5-9-18(16)21-13-12-19-11-10-15-6-2-4-8-17(15)19/h2-11H,12-13H2,1H3.
What are the key properties of 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone?
1-[2-(2-indol-1-ylethoxy)phenyl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-indol-1-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 62025183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).