2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

C30H20N2O5 — CID 22899383

IUPAC2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
InChIInChI=1S/C30H20N2O5/c1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33/h3-16H,1-2H3
InChIKeyUEYVUSPPGFFMDB-UHFFFAOYSA-N
MW488.50 g/mol
LogP5.48
Rot. Bonds4

About 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 22899383) has the molecular formula C30H20N2O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID22899383
Molecular FormulaC30H20N2O5
Molecular Weight488.50 g/mol
Exact Mass488.14
IUPAC Name2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
InChIInChI=1S/C30H20N2O5/c1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33/h3-16H,1-2H3
InChIKeyUEYVUSPPGFFMDB-UHFFFAOYSA-N
XLogP5.48
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 22899383) is 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is Cc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.
What is the InChIKey of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The InChIKey is UEYVUSPPGFFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O5/c1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33/h3-16H,1-2H3.
What are the key properties of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 488.50 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 22899383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).