3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione

C22H14ClNO4 — CID 110581921

IUPAC3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H14ClNO4/c23-15-8-6-14(7-9-15)19-20(25)22(27)24(21(19)26)16-10-12-18(13-11-16)28-17-4-2-1-3-5-17/h1-13,25H
InChIKeyHNKOGMSQOMUNEY-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.97
Rot. Bonds4

About 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione (PubChem CID 110581921) has the molecular formula C22H14ClNO4 and a molecular weight of 391.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
PubChem CID110581921
Molecular FormulaC22H14ClNO4
Molecular Weight391.81 g/mol
Exact Mass391.06
IUPAC Name3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H14ClNO4/c23-15-8-6-14(7-9-15)19-20(25)22(27)24(21(19)26)16-10-12-18(13-11-16)28-17-4-2-1-3-5-17/h1-13,25H
InChIKeyHNKOGMSQOMUNEY-UHFFFAOYSA-N
XLogP4.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
CID 110584401
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581815
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583357
1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302
1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582019
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110547658

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione (CID 110581921) is 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione is O=C1C(O)=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The InChIKey is HNKOGMSQOMUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO4/c23-15-8-6-14(7-9-15)19-20(25)22(27)24(21(19)26)16-10-12-18(13-11-16)28-17-4-2-1-3-5-17/h1-13,25H.
What are the key properties of 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione has a molecular weight of 391.81 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).