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

C23H19NO3 — CID 122192261

IUPAC2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
SMILESCOc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H19NO3/c1-27-18-14-11-16(12-15-18)10-13-17-6-2-5-9-21(17)24-22(25)19-7-3-4-8-20(19)23(24)26/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyDLOHIMRUBSGKBB-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.28
Rot. Bonds5

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

2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione (PubChem CID 122192261) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
PubChem CID122192261
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
SMILESCOc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H19NO3/c1-27-18-14-11-16(12-15-18)10-13-17-6-2-5-9-21(17)24-22(25)19-7-3-4-8-20(19)23(24)26/h2-9,11-12,14-15H,10,13H2,1H3
InChIKeyDLOHIMRUBSGKBB-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
1-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one
CID 29321
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
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
2-[3-(Dimethylamino)-4-methoxyphenyl]isoindole-1,3-dione
CID 25271533
1-(4-Ethoxybenzoyl)indoline
CID 669395
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CID 10492042

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione (CID 122192261) is 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione is COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
The InChIKey is DLOHIMRUBSGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-18-14-11-16(12-15-18)10-13-17-6-2-5-9-21(17)24-22(25)19-7-3-4-8-20(19)23(24)26/h2-9,11-12,14-15H,10,13H2,1H3.
What are the key properties of 2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione?
2-[2-[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-[2-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 122192261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).