1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione

C19H15Br2NO3 — CID 142990524

IUPAC1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione
SMILESCCCc1cc(Br)cc(Br)c1Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C19H15Br2NO3/c1-2-3-12-10-13(20)11-16(21)19(12)25-15-6-4-14(5-7-15)22-17(23)8-9-18(22)24/h4-11H,2-3H2,1H3
InChIKeyVTFREHDFEDZTEK-UHFFFAOYSA-N
MW465.14 g/mol
LogP5.39
Rot. Bonds5

About 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione

1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione (PubChem CID 142990524) has the molecular formula C19H15Br2NO3 and a molecular weight of 465.14 g/mol. Its IUPAC name is 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione
PubChem CID142990524
Molecular FormulaC19H15Br2NO3
Molecular Weight465.14 g/mol
Exact Mass462.94
IUPAC Name1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione
SMILESCCCc1cc(Br)cc(Br)c1Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C19H15Br2NO3/c1-2-3-12-10-13(20)11-16(21)19(12)25-15-6-4-14(5-7-15)22-17(23)8-9-18(22)24/h4-11H,2-3H2,1H3
InChIKeyVTFREHDFEDZTEK-UHFFFAOYSA-N
XLogP5.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.14
LogP ≤ 55.39
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-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione (CID 142990524) is 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione is CCCc1cc(Br)cc(Br)c1Oc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is VTFREHDFEDZTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2NO3/c1-2-3-12-10-13(20)11-16(21)19(12)25-15-6-4-14(5-7-15)22-17(23)8-9-18(22)24/h4-11H,2-3H2,1H3.
What are the key properties of 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione?
1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 465.14 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 142990524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).