2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione

C22H17NO2 — CID 10616182

IUPAC2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyXGSWAPNRKGOSKD-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.27
Rot. Bonds4

About 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione

2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione (PubChem CID 10616182) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione
PubChem CID10616182
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyXGSWAPNRKGOSKD-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.27
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-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione (CID 10616182) is 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione?
The InChIKey is XGSWAPNRKGOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione?
2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione has a molecular weight of 327.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 10616182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).