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

C23H19NO3 — CID 45481844

IUPAC2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
SMILESCOc1cccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C23H19NO3/c1-27-19-6-4-5-17(15-19)10-9-16-11-13-18(14-12-16)24-22(25)20-7-2-3-8-21(20)23(24)26/h2-8,11-15H,9-10H2,1H3
InChIKeyCNZNMDJWLSHLJZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.28
Rot. Bonds5

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

2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione (PubChem CID 45481844) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
PubChem CID45481844
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
SMILESCOc1cccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C23H19NO3/c1-27-19-6-4-5-17(15-19)10-9-16-11-13-18(14-12-16)24-22(25)20-7-2-3-8-21(20)23(24)26/h2-8,11-15H,9-10H2,1H3
InChIKeyCNZNMDJWLSHLJZ-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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Related Compounds

Nan 190
CID 4431
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
(3aR,4S,7R,7aS)-2-(4-((E)-3-(3-methoxyphenyl)acryloyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7b)
CID 126842603
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CID 10492042
N-(3-Benzyloxyphenyl)phthalimide
CID 3361967
N-{4-[2-(4-Methoxyphenyl)ethyl]phenyl}phthalimide
CID 44537911

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione (CID 45481844) is 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione is COc1cccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1.
What is the InChIKey of 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The InChIKey is CNZNMDJWLSHLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-19-6-4-5-17(15-19)10-9-16-11-13-18(14-12-16)24-22(25)20-7-2-3-8-21(20)23(24)26/h2-8,11-15H,9-10H2,1H3.
What are the key properties of 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
2-[4-[2-(3-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-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 45481844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).