3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione

C11H8ClNO3 — CID 172654048

IUPAC3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione
SMILESCOC1=C(c2ccc(Cl)cc2)C(=O)NC1=O
InChIInChI=1S/C11H8ClNO3/c1-16-9-8(10(14)13-11(9)15)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,13,14,15)
InChIKeyWCLOCWWSHSVFOK-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.35
Rot. Bonds2

About 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione

3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione (PubChem CID 172654048) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione
PubChem CID172654048
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione
SMILESCOC1=C(c2ccc(Cl)cc2)C(=O)NC1=O
InChIInChI=1S/C11H8ClNO3/c1-16-9-8(10(14)13-11(9)15)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,13,14,15)
InChIKeyWCLOCWWSHSVFOK-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione (CID 172654048) is 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione is COC1=C(c2ccc(Cl)cc2)C(=O)NC1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione?
The InChIKey is WCLOCWWSHSVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-16-9-8(10(14)13-11(9)15)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,13,14,15).
What are the key properties of 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione?
3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione has a molecular weight of 237.64 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methoxypyrrole-2,5-dione is sourced from PubChem (CID 172654048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).