3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione

C19H17NO4 — CID 110582432

IUPAC3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17NO4/c1-2-12-24-15-10-8-13(9-11-15)16-17(21)19(23)20(18(16)22)14-6-4-3-5-7-14/h3-11,21H,2,12H2,1H3
InChIKeyMUHYMXHGLBMFII-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.32
Rot. Bonds5

About 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione

3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110582432) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110582432
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17NO4/c1-2-12-24-15-10-8-13(9-11-15)16-17(21)19(23)20(18(16)22)14-6-4-3-5-7-14/h3-11,21H,2,12H2,1H3
InChIKeyMUHYMXHGLBMFII-UHFFFAOYSA-N
XLogP3.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.32
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

1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
1-(4-butylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582426
3-hydroxy-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582461
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
butyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
CID 110582457
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582354
3-[bis(2-methoxyethyl)amino]-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577493
2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
CID 110582468
3-hydroxy-4-(4-methoxyphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110580995
1-(2,4-dimethylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582456
3-morpholin-4-yl-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577483

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110582432) is 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is MUHYMXHGLBMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-12-24-15-10-8-13(9-11-15)16-17(21)19(23)20(18(16)22)14-6-4-3-5-7-14/h3-11,21H,2,12H2,1H3.
What are the key properties of 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 323.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).