5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione

C16H12FNO3 — CID 155554293

IUPAC5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C16H12FNO3/c17-11-3-1-10(2-4-11)7-8-21-12-5-6-14-13(9-12)15(19)16(20)18-14/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyHLNQCKYPVCWDIS-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.58
Rot. Bonds4

About 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione

5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione (PubChem CID 155554293) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione
PubChem CID155554293
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C16H12FNO3/c17-11-3-1-10(2-4-11)7-8-21-12-5-6-14-13(9-12)15(19)16(20)18-14/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyHLNQCKYPVCWDIS-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione 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 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione?
The IUPAC name of 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione (CID 155554293) is 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione is O=C1Nc2ccc(OCCc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione?
The InChIKey is HLNQCKYPVCWDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-11-3-1-10(2-4-11)7-8-21-12-5-6-14-13(9-12)15(19)16(20)18-14/h1-6,9H,7-8H2,(H,18,19,20).
What are the key properties of 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione?
5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione has a molecular weight of 285.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethoxy]-1H-indole-2,3-dione is sourced from PubChem (CID 155554293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).