1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione

C20H19NO3 — CID 22071448

IUPAC1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
SMILESCCCc1ccc(Oc2ccc(N3C(=O)C=CC3=O)c(C)c2)cc1
InChIInChI=1S/C20H19NO3/c1-3-4-15-5-7-16(8-6-15)24-17-9-10-18(14(2)13-17)21-19(22)11-12-20(21)23/h5-13H,3-4H2,1-2H3
InChIKeyOSXLREZFPPQESF-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione

1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione (PubChem CID 22071448) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
PubChem CID22071448
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
SMILESCCCc1ccc(Oc2ccc(N3C(=O)C=CC3=O)c(C)c2)cc1
InChIInChI=1S/C20H19NO3/c1-3-4-15-5-7-16(8-6-15)24-17-9-10-18(14(2)13-17)21-19(22)11-12-20(21)23/h5-13H,3-4H2,1-2H3
InChIKeyOSXLREZFPPQESF-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione (CID 22071448) is 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione is CCCc1ccc(Oc2ccc(N3C(=O)C=CC3=O)c(C)c2)cc1.
What is the InChIKey of 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is OSXLREZFPPQESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-4-15-5-7-16(8-6-15)24-17-9-10-18(14(2)13-17)21-19(22)11-12-20(21)23/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 321.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 22071448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).