1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione

C28H20N2O6 — CID 141169965

IUPAC1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione
SMILESCc1c(Oc2ccccc2N2C(=O)C=CC2=O)ccc(Oc2ccccc2N2C(=O)C=CC2=O)c1C
InChIInChI=1S/C28H20N2O6/c1-17-18(2)22(36-24-10-6-4-8-20(24)30-27(33)15-16-28(30)34)12-11-21(17)35-23-9-5-3-7-19(23)29-25(31)13-14-26(29)32/h3-16H,1-2H3
InChIKeyWQDVBUMQXBOXDI-UHFFFAOYSA-N
MW480.48 g/mol
LogP4.75
Rot. Bonds6

About 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione

1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 141169965) has the molecular formula C28H20N2O6 and a molecular weight of 480.48 g/mol. Its IUPAC name is 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione
PubChem CID141169965
Molecular FormulaC28H20N2O6
Molecular Weight480.48 g/mol
Exact Mass480.13
IUPAC Name1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione
SMILESCc1c(Oc2ccccc2N2C(=O)C=CC2=O)ccc(Oc2ccccc2N2C(=O)C=CC2=O)c1C
InChIInChI=1S/C28H20N2O6/c1-17-18(2)22(36-24-10-6-4-8-20(24)30-27(33)15-16-28(30)34)12-11-21(17)35-23-9-5-3-7-19(23)29-25(31)13-14-26(29)32/h3-16H,1-2H3
InChIKeyWQDVBUMQXBOXDI-UHFFFAOYSA-N
XLogP4.75
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione (CID 141169965) is 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione is Cc1c(Oc2ccccc2N2C(=O)C=CC2=O)ccc(Oc2ccccc2N2C(=O)C=CC2=O)c1C.
What is the InChIKey of 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is WQDVBUMQXBOXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O6/c1-17-18(2)22(36-24-10-6-4-8-20(24)30-27(33)15-16-28(30)34)12-11-21(17)35-23-9-5-3-7-19(23)29-25(31)13-14-26(29)32/h3-16H,1-2H3.
What are the key properties of 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione?
1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 480.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 141169965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).