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

C23H19NO3 — CID 44537911

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
SMILESCOc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H19NO3/c1-27-19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)24-22(25)20-4-2-3-5-21(20)23(24)26/h2-5,8-15H,6-7H2,1H3
InChIKeyCRWGIKAUSJNKIC-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.28
Rot. Bonds5

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

2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione (PubChem CID 44537911) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
PubChem CID44537911
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
SMILESCOc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H19NO3/c1-27-19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)24-22(25)20-4-2-3-5-21(20)23(24)26/h2-5,8-15H,6-7H2,1H3
InChIKeyCRWGIKAUSJNKIC-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione (CID 44537911) is 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione is COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The InChIKey is CRWGIKAUSJNKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)24-22(25)20-4-2-3-5-21(20)23(24)26/h2-5,8-15H,6-7H2,1H3.
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione has a molecular weight of 357.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 44537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).