5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione

C30H25NO3 — CID 52943930

IUPAC5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCc1ccccc1CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H25NO3/c1-21-7-5-6-8-23(21)17-18-34-26-15-16-28-27(19-26)29(32)30(33)31(28)20-22-11-13-25(14-12-22)24-9-3-2-4-10-24/h2-16,19H,17-18,20H2,1H3
InChIKeyLQPUAWYJYKDELL-UHFFFAOYSA-N
MW447.53 g/mol
LogP6.01
Rot. Bonds7

About 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione

5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (PubChem CID 52943930) has the molecular formula C30H25NO3 and a molecular weight of 447.53 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
PubChem CID52943930
Molecular FormulaC30H25NO3
Molecular Weight447.53 g/mol
Exact Mass447.18
IUPAC Name5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCc1ccccc1CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H25NO3/c1-21-7-5-6-8-23(21)17-18-34-26-15-16-28-27(19-26)29(32)30(33)31(28)20-22-11-13-25(14-12-22)24-9-3-2-4-10-24/h2-16,19H,17-18,20H2,1H3
InChIKeyLQPUAWYJYKDELL-UHFFFAOYSA-N
XLogP6.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]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-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (CID 52943930) is 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is Cc1ccccc1CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The InChIKey is LQPUAWYJYKDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO3/c1-21-7-5-6-8-23(21)17-18-34-26-15-16-28-27(19-26)29(32)30(33)31(28)20-22-11-13-25(14-12-22)24-9-3-2-4-10-24/h2-16,19H,17-18,20H2,1H3.
What are the key properties of 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione has a molecular weight of 447.53 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 52943930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).