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

C22H17NO3 — CID 765583

IUPAC2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
SMILESCc1cccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C22H17NO3/c1-14-6-5-9-20(15(14)2)26-17-12-10-16(11-13-17)23-21(24)18-7-3-4-8-19(18)22(23)25/h3-13H,1-2H3
InChIKeyRCZBOBBLHZCFMW-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.90
Rot. Bonds3

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

2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione (PubChem CID 765583) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
PubChem CID765583
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
SMILESCc1cccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C22H17NO3/c1-14-6-5-9-20(15(14)2)26-17-12-10-16(11-13-17)23-21(24)18-7-3-4-8-19(18)22(23)25/h3-13H,1-2H3
InChIKeyRCZBOBBLHZCFMW-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.90
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

2-[4-(2,3-dimethylphenoxy)phenyl]-5-nitroisoindole-1,3-dione
CID 1097761
17-[4-(2,3-dimethylphenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2898130
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
(1S,2R,6S,7R,8S,10R)-4-[4-(2,3-dimethylphenoxy)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 18153929
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
(3aS,4S,7aR)-2-[4-(2,3-dimethylphenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98125824
(3aR,7aS)-2-[4-(2,3-dimethylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1377657
(2-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1217603
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
CID 3644728
7,18-bis(4-methylphenyl)-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 58049657
4-[4-(2,3-dimethylphenoxy)phenyl]-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 19644858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione (CID 765583) is 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione is Cc1cccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione?
The InChIKey is RCZBOBBLHZCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-6-5-9-20(15(14)2)26-17-12-10-16(11-13-17)23-21(24)18-7-3-4-8-19(18)22(23)25/h3-13H,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione?
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 765583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).