1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone

C19H19NO2 — CID 940424

IUPAC1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone
SMILESCCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
InChIInChI=1S/C19H19NO2/c1-4-22-16-10-11-18-17(12-16)19(14(3)21)13(2)20(18)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyAWRZIASBQFCBIS-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.54
Rot. Bonds4

About 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone

1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone (PubChem CID 940424) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone
PubChem CID940424
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone
SMILESCCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
InChIInChI=1S/C19H19NO2/c1-4-22-16-10-11-18-17(12-16)19(14(3)21)13(2)20(18)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyAWRZIASBQFCBIS-UHFFFAOYSA-N
XLogP4.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone?
The IUPAC name of 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone (CID 940424) is 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone is CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1.
What is the InChIKey of 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone?
The InChIKey is AWRZIASBQFCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-22-16-10-11-18-17(12-16)19(14(3)21)13(2)20(18)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone?
1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone has a molecular weight of 293.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methyl-1-phenylindol-3-yl)ethanone is sourced from PubChem (CID 940424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).