2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione

C23H17NO2 — CID 122192267

IUPAC2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione
SMILESCc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H17NO2/c1-16-10-12-17(13-11-16)14-15-18-6-2-5-9-21(18)24-22(25)19-7-3-4-8-20(19)23(24)26/h2-15H,1H3/b15-14+
InChIKeyWYNWRSWIWXNKLX-CCEZHUSRSA-N
MW339.39 g/mol
LogP4.97
Rot. Bonds3

About 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione

2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione (PubChem CID 122192267) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione
PubChem CID122192267
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione
SMILESCc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H17NO2/c1-16-10-12-17(13-11-16)14-15-18-6-2-5-9-21(18)24-22(25)19-7-3-4-8-20(19)23(24)26/h2-15H,1H3/b15-14+
InChIKeyWYNWRSWIWXNKLX-CCEZHUSRSA-N
XLogP4.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione (CID 122192267) is 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione is Cc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione?
The InChIKey is WYNWRSWIWXNKLX-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H17NO2/c1-16-10-12-17(13-11-16)14-15-18-6-2-5-9-21(18)24-22(25)19-7-3-4-8-20(19)23(24)26/h2-15H,1H3/b15-14+.
What are the key properties of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione?
2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione has a molecular weight of 339.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 122192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).