1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone

C19H19NO2 — CID 951675

IUPAC1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCOc2ccccc2C)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-14-7-3-6-10-19(14)22-12-11-20-13-17(15(2)21)16-8-4-5-9-18(16)20/h3-10,13H,11-12H2,1-2H3
InChIKeyMLUGAQLEAMVUAN-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.23
Rot. Bonds5

About 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone

1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone (PubChem CID 951675) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone
PubChem CID951675
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCOc2ccccc2C)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-14-7-3-6-10-19(14)22-12-11-20-13-17(15(2)21)16-8-4-5-9-18(16)20/h3-10,13H,11-12H2,1-2H3
InChIKeyMLUGAQLEAMVUAN-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone (CID 951675) is 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone is CC(=O)c1cn(CCOc2ccccc2C)c2ccccc12.
What is the InChIKey of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone?
The InChIKey is MLUGAQLEAMVUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-7-3-6-10-19(14)22-12-11-20-13-17(15(2)21)16-8-4-5-9-18(16)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone?
1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]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-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 951675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).