ethyl 3-phenylindole-1-carboxylate

C17H15NO2 — CID 69433290

IUPACethyl 3-phenylindole-1-carboxylate
SMILESCCOC(=O)n1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)18-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-12H,2H2,1H3
InChIKeyUHHRSJVNJYHYBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.31
Rot. Bonds2

About ethyl 3-phenylindole-1-carboxylate

ethyl 3-phenylindole-1-carboxylate (PubChem CID 69433290) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-phenylindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylindole-1-carboxylate
PubChem CID69433290
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameethyl 3-phenylindole-1-carboxylate
SMILESCCOC(=O)n1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)18-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-12H,2H2,1H3
InChIKeyUHHRSJVNJYHYBG-UHFFFAOYSA-N
XLogP4.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylindole-1-carboxylate?
The IUPAC name of ethyl 3-phenylindole-1-carboxylate (CID 69433290) is ethyl 3-phenylindole-1-carboxylate.
What is the SMILES notation for ethyl 3-phenylindole-1-carboxylate?
The canonical SMILES for ethyl 3-phenylindole-1-carboxylate is CCOC(=O)n1cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 3-phenylindole-1-carboxylate?
The InChIKey is UHHRSJVNJYHYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-20-17(19)18-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-phenylindole-1-carboxylate?
ethyl 3-phenylindole-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylindole-1-carboxylate is sourced from PubChem (CID 69433290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).