3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione

C17H11Cl2NO3 — CID 110581784

IUPAC3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C17H11Cl2NO3/c1-9-2-5-11(6-3-9)20-16(22)14(15(21)17(20)23)12-7-4-10(18)8-13(12)19/h2-8,21H,1H3
InChIKeyZVGKWFZKLZIPNK-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.14
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110581784) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110581784
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C17H11Cl2NO3/c1-9-2-5-11(6-3-9)20-16(22)14(15(21)17(20)23)12-7-4-10(18)8-13(12)19/h2-8,21H,1H3
InChIKeyZVGKWFZKLZIPNK-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568862
1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581807
1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582019
1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582709
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
CID 818224
3-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110568658
1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110583993
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581960
3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583914
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581815

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione (CID 110581784) is 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ZVGKWFZKLZIPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-9-2-5-11(6-3-9)20-16(22)14(15(21)17(20)23)12-7-4-10(18)8-13(12)19/h2-8,21H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 348.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).