2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile

C20H20N2O2 — CID 58694216

IUPAC2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1
InChIInChI=1S/C20H20N2O2/c1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2/h6-12H,4-5H2,1-3H3
InChIKeyWPFIWSYJGIBFKP-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.61
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile

2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 58694216) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID58694216
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1
InChIInChI=1S/C20H20N2O2/c1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2/h6-12H,4-5H2,1-3H3
InChIKeyWPFIWSYJGIBFKP-UHFFFAOYSA-N
XLogP4.61
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile (CID 58694216) is 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile is CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is WPFIWSYJGIBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-22-19-12-16(23-3)10-11-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile?
2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 320.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 58694216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).