2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione

C24H19NO2 — CID 15036635

IUPAC2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H19NO2/c26-23-21-8-4-5-9-22(21)24(27)25(23)17-16-20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18/h1-15H,16-17H2/b11-10+
InChIKeyYAFXWQYPKUFVLO-ZHACJKMWSA-N
MW353.42 g/mol
LogP4.70
Rot. Bonds5

About 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione

2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione (PubChem CID 15036635) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
PubChem CID15036635
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H19NO2/c26-23-21-8-4-5-9-22(21)24(27)25(23)17-16-20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18/h1-15H,16-17H2/b11-10+
InChIKeyYAFXWQYPKUFVLO-ZHACJKMWSA-N
XLogP4.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.70
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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Related Compounds

2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2240303
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-(2-anthracen-2-ylethyl)isoindole-1,3-dione
CID 102026438
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenoxy]butanoic acid
CID 11725612
2-[3-[3-[(Z)-2-(3-chlorophenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68941009
2-[3-[3-[2-(3-chlorophenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68941012
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
4-iodo-2-(2-phenylethyl)isoindole-1,3-dione
CID 79785519
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione (CID 15036635) is 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione?
The InChIKey is YAFXWQYPKUFVLO-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H19NO2/c26-23-21-8-4-5-9-22(21)24(27)25(23)17-16-20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18/h1-15H,16-17H2/b11-10+.
What are the key properties of 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione?
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione has a molecular weight of 353.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 15036635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).