2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione

C24H21NO3 — CID 168517652

IUPAC2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
SMILESCCOc1c(C)cc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C
InChIInChI=1S/C24H21NO3/c1-4-28-22-15(2)12-18(13-16(22)3)17-8-7-9-19(14-17)25-23(26)20-10-5-6-11-21(20)24(25)27/h5-14H,4H2,1-3H3
InChIKeyUFQCWIHTRNPBBU-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.17
Rot. Bonds4

About 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione

2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione (PubChem CID 168517652) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
PubChem CID168517652
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
SMILESCCOc1c(C)cc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C
InChIInChI=1S/C24H21NO3/c1-4-28-22-15(2)12-18(13-16(22)3)17-8-7-9-19(14-17)25-23(26)20-10-5-6-11-21(20)24(25)27/h5-14H,4H2,1-3H3
InChIKeyUFQCWIHTRNPBBU-UHFFFAOYSA-N
XLogP5.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.17
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-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 168519023
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
2-[3-(2-methylpyrimidin-4-yl)phenyl]isoindole-1,3-dione
CID 168516996
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]isoindole-1,3-dione
CID 168516694
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
(4Z)-4-[(4-ethoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
CID 7971937
3-chloro-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110582083

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione (CID 168517652) is 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione is CCOc1c(C)cc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C.
What is the InChIKey of 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione?
The InChIKey is UFQCWIHTRNPBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-4-28-22-15(2)12-18(13-16(22)3)17-8-7-9-19(14-17)25-23(26)20-10-5-6-11-21(20)24(25)27/h5-14H,4H2,1-3H3.
What are the key properties of 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione?
2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione has a molecular weight of 371.44 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).