ethyl 3-phenyl-1H-indole-2-carboxylate

C17H15NO2 — CID 2763656

IUPACethyl 3-phenyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-16/h3-11,18H,2H2,1H3
InChIKeyJPDIBWCNNQFQEP-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.01
Rot. Bonds3

About ethyl 3-phenyl-1H-indole-2-carboxylate

ethyl 3-phenyl-1H-indole-2-carboxylate (PubChem CID 2763656) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-phenyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-1H-indole-2-carboxylate
PubChem CID2763656
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameethyl 3-phenyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-16/h3-11,18H,2H2,1H3
InChIKeyJPDIBWCNNQFQEP-UHFFFAOYSA-N
XLogP4.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 3-phenyl-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-phenyl-1H-indole-2-carboxylate (CID 2763656) is ethyl 3-phenyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-phenyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-1H-indole-2-carboxylate?
The InChIKey is JPDIBWCNNQFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-20-17(19)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-16/h3-11,18H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-1H-indole-2-carboxylate?
ethyl 3-phenyl-1H-indole-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-1H-indole-2-carboxylate is sourced from PubChem (CID 2763656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).