2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone

C20H21NO2 — CID 21380761

IUPAC2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
SMILESCCn1cc(C(=O)COc2ccc(C)c(C)c2)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-4-21-12-18(17-7-5-6-8-19(17)21)20(22)13-23-16-10-9-14(2)15(3)11-16/h5-12H,4,13H2,1-3H3
InChIKeyQPHSAQHYBJZZMO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.54
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone

2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone (PubChem CID 21380761) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
PubChem CID21380761
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
SMILESCCn1cc(C(=O)COc2ccc(C)c(C)c2)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-4-21-12-18(17-7-5-6-8-19(17)21)20(22)13-23-16-10-9-14(2)15(3)11-16/h5-12H,4,13H2,1-3H3
InChIKeyQPHSAQHYBJZZMO-UHFFFAOYSA-N
XLogP4.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone (CID 21380761) is 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone is CCn1cc(C(=O)COc2ccc(C)c(C)c2)c2ccccc21.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
The InChIKey is QPHSAQHYBJZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-21-12-18(17-7-5-6-8-19(17)21)20(22)13-23-16-10-9-14(2)15(3)11-16/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone?
2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone is sourced from PubChem (CID 21380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).