2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione

C29H23NO3 — CID 3644728

IUPAC2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C29H23NO3/c1-29(2,20-8-4-3-5-9-20)21-12-16-23(17-13-21)33-24-18-14-22(15-19-24)30-27(31)25-10-6-7-11-26(25)28(30)32/h3-19H,1-2H3
InChIKeyQPIDYTOGJBVKJH-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.61
Rot. Bonds5

About 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione

2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione (PubChem CID 3644728) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
PubChem CID3644728
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C29H23NO3/c1-29(2,20-8-4-3-5-9-20)21-12-16-23(17-13-21)33-24-18-14-22(15-19-24)30-27(31)25-10-6-7-11-26(25)28(30)32/h3-19H,1-2H3
InChIKeyQPIDYTOGJBVKJH-UHFFFAOYSA-N
XLogP6.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.61
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-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-[4-[4-[2-[4-[4-[1,3-dioxo-5-(2-phenylethynyl)isoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
CID 155220082
2-(4-methylphenyl)-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58078325
2-(3-methylphenyl)-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
CID 59031834
2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 59850696
1-[4-[4-[2-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 18995304
2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
CID 171048409
1-[4-[4-[2-[3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 15277901
5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione
CID 140843908
2-methyl-5-[4-[2-[4-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58823050
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione
CID 2852422
2-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 159164214

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione (CID 3644728) is 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione is CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
The InChIKey is QPIDYTOGJBVKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c1-29(2,20-8-4-3-5-9-20)21-12-16-23(17-13-21)33-24-18-14-22(15-19-24)30-27(31)25-10-6-7-11-26(25)28(30)32/h3-19H,1-2H3.
What are the key properties of 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 433.51 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 3644728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).