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

C18H14ClNO3 — CID 110582015

IUPAC1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1
InChIInChI=1S/C18H14ClNO3/c1-10-6-8-12(9-7-10)15-16(21)18(23)20(17(15)22)14-5-3-4-13(19)11(14)2/h3-9,21H,1-2H3
InChIKeyKMIJFVZCEUWXJR-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.80
Rot. Bonds2

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

1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110582015) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110582015
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1
InChIInChI=1S/C18H14ClNO3/c1-10-6-8-12(9-7-10)15-16(21)18(23)20(17(15)22)14-5-3-4-13(19)11(14)2/h3-9,21H,1-2H3
InChIKeyKMIJFVZCEUWXJR-UHFFFAOYSA-N
XLogP3.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.80
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

N-[4-[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583591
1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582019
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione
CID 110599709
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
1-(3-chloro-2-methylphenyl)-3-(2-hydroxyethylsulfanyl)-4-phenylpyrrole-2,5-dione
CID 110560537
1-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110544691
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586729
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557160
2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930750
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595103
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110582945
1-(3-chloro-2-methylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586736

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110582015) is 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is KMIJFVZCEUWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-10-6-8-12(9-7-10)15-16(21)18(23)20(17(15)22)14-5-3-4-13(19)11(14)2/h3-9,21H,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 327.77 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).