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

C22H17NO2 — CID 168518344

IUPAC2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C
InChIInChI=1S/C22H17NO2/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)23-21(24)19-5-3-4-6-20(19)22(23)25/h3-13H,1-2H3
InChIKeyQVXLEWOEMYTTRF-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.77
Rot. Bonds2

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

2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione (PubChem CID 168518344) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
PubChem CID168518344
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C
InChIInChI=1S/C22H17NO2/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)23-21(24)19-5-3-4-6-20(19)22(23)25/h3-13H,1-2H3
InChIKeyQVXLEWOEMYTTRF-UHFFFAOYSA-N
XLogP4.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]isoindole-1,3-dione
CID 168518349
5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 161039264
2-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]isoindole-1,3-dione
CID 168518353
2-[4-(4-methylphenyl)sulfanylphenyl]isoindole-1,3-dione
CID 168518003
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
CID 110352312
3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
CID 110584401
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110589564
4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168516849
2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168517652

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione (CID 168518344) is 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione is Cc1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione?
The InChIKey is QVXLEWOEMYTTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)23-21(24)19-5-3-4-6-20(19)22(23)25/h3-13H,1-2H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione?
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione has a molecular weight of 327.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).