1-ethoxy-2-phenylindole

C16H15NO — CID 21443598

IUPAC1-ethoxy-2-phenylindole
SMILESCCOn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-18-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyWUQMYQKSJFNCOA-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.76
Rot. Bonds3

About 1-ethoxy-2-phenylindole

1-ethoxy-2-phenylindole (PubChem CID 21443598) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethoxy-2-phenylindole.

Molecular Properties

Compound Name1-ethoxy-2-phenylindole
PubChem CID21443598
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-ethoxy-2-phenylindole
SMILESCCOn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-18-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyWUQMYQKSJFNCOA-UHFFFAOYSA-N
XLogP3.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-2-phenylindole 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 1-ethoxy-2-phenylindole?
The IUPAC name of 1-ethoxy-2-phenylindole (CID 21443598) is 1-ethoxy-2-phenylindole.
What is the SMILES notation for 1-ethoxy-2-phenylindole?
The canonical SMILES for 1-ethoxy-2-phenylindole is CCOn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 1-ethoxy-2-phenylindole?
The InChIKey is WUQMYQKSJFNCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-18-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of 1-ethoxy-2-phenylindole?
1-ethoxy-2-phenylindole has a molecular weight of 237.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-phenylindole is sourced from PubChem (CID 21443598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).