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

C23H17NO3 — CID 122192272

IUPAC2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
SMILESCOc1cccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17NO3/c1-27-18-9-6-7-16(15-18)13-14-17-8-2-5-12-21(17)24-22(25)19-10-3-4-11-20(19)23(24)26/h2-15H,1H3/b14-13+
InChIKeyPNEXAUQACLLQLX-BUHFOSPRSA-N
MW355.39 g/mol
LogP4.67
Rot. Bonds4

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

2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione (PubChem CID 122192272) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
PubChem CID122192272
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
SMILESCOc1cccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17NO3/c1-27-18-9-6-7-16(15-18)13-14-17-8-2-5-12-21(17)24-22(25)19-10-3-4-11-20(19)23(24)26/h2-15H,1H3/b14-13+
InChIKeyPNEXAUQACLLQLX-BUHFOSPRSA-N
XLogP4.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione (CID 122192272) is 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione is COc1cccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione?
The InChIKey is PNEXAUQACLLQLX-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H17NO3/c1-27-18-9-6-7-16(15-18)13-14-17-8-2-5-12-21(17)24-22(25)19-10-3-4-11-20(19)23(24)26/h2-15H,1H3/b14-13+.
What are the key properties of 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione?
2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione has a molecular weight of 355.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 122192272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).