2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione

C25H21NO3 — CID 68937233

IUPAC2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1cccc(C=Cc2ccccc2O)c1
InChIInChI=1S/C25H21NO3/c27-23-13-4-1-10-20(23)15-14-19-8-5-7-18(17-19)9-6-16-26-24(28)21-11-2-3-12-22(21)25(26)29/h1-5,7-8,10-15,17,27H,6,9,16H2
InChIKeyYQCKKRQNVOJGEW-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.79
Rot. Bonds6

About 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione

2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione (PubChem CID 68937233) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
PubChem CID68937233
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1cccc(C=Cc2ccccc2O)c1
InChIInChI=1S/C25H21NO3/c27-23-13-4-1-10-20(23)15-14-19-8-5-7-18(17-19)9-6-16-26-24(28)21-11-2-3-12-22(21)25(26)29/h1-5,7-8,10-15,17,27H,6,9,16H2
InChIKeyYQCKKRQNVOJGEW-UHFFFAOYSA-N
XLogP4.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-[2-(2-propan-2-ylphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68937290
2-[3-[3-[2-(2,3-dimethylphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68944705
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-[3-[2-(3,5-dimethylphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68944362
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione
CID 122510336
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635
CID 171374663
CID 171374663
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-[3-(4-methoxybutoxy)phenyl]propyl]isoindole-1,3-dione
CID 67316748

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione (CID 68937233) is 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1cccc(C=Cc2ccccc2O)c1.
What is the InChIKey of 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione?
The InChIKey is YQCKKRQNVOJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-23-13-4-1-10-20(23)15-14-19-8-5-7-18(17-19)9-6-16-26-24(28)21-11-2-3-12-22(21)25(26)29/h1-5,7-8,10-15,17,27H,6,9,16H2.
What are the key properties of 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione?
2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione has a molecular weight of 383.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-(2-hydroxyphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 68937233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).