2-(4-propan-2-ylphenyl)isoindole-1,3-dione

C17H15NO2 — CID 619448

IUPAC2-(4-propan-2-ylphenyl)isoindole-1,3-dione
SMILESCC(C)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO2/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17(18)20/h3-11H,1-2H3
InChIKeyCIOQUUUMMYPGKD-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)isoindole-1,3-dione

2-(4-propan-2-ylphenyl)isoindole-1,3-dione (PubChem CID 619448) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)isoindole-1,3-dione
PubChem CID619448
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(4-propan-2-ylphenyl)isoindole-1,3-dione
SMILESCC(C)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO2/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17(18)20/h3-11H,1-2H3
InChIKeyCIOQUUUMMYPGKD-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-propan-2-ylphenyl)isoindole-1,3-dione (CID 619448) is 2-(4-propan-2-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-propan-2-ylphenyl)isoindole-1,3-dione is CC(C)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)isoindole-1,3-dione?
The InChIKey is CIOQUUUMMYPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17(18)20/h3-11H,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)isoindole-1,3-dione?
2-(4-propan-2-ylphenyl)isoindole-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 619448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).