5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione

C23H19NO4 — CID 141372271

IUPAC5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-27-18-10-7-16(8-11-18)17-9-12-21-20(15-17)22(25)23(26)24(21)13-14-28-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3
InChIKeyFXKPDZCQFDQVOK-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.97
Rot. Bonds6

About 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione

5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione (PubChem CID 141372271) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione
PubChem CID141372271
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-27-18-10-7-16(8-11-18)17-9-12-21-20(15-17)22(25)23(26)24(21)13-14-28-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3
InChIKeyFXKPDZCQFDQVOK-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)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-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione (CID 141372271) is 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione is COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione?
The InChIKey is FXKPDZCQFDQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-27-18-10-7-16(8-11-18)17-9-12-21-20(15-17)22(25)23(26)24(21)13-14-28-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione?
5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione has a molecular weight of 373.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione is sourced from PubChem (CID 141372271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).