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

C19H17NO4 — CID 110581255

IUPAC3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(O)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO4/c1-2-12-24-15-11-7-6-10-14(15)20-18(22)16(17(21)19(20)23)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3
InChIKeyQTPACLSCCOQJIA-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.32
Rot. Bonds5

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

3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110581255) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110581255
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(O)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO4/c1-2-12-24-15-11-7-6-10-14(15)20-18(22)16(17(21)19(20)23)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3
InChIKeyQTPACLSCCOQJIA-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

3-hydroxy-4-(4-methoxyphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110580995
3-hydroxy-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582461
3-hydroxy-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110581253
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110561521
3-(4-methylphenyl)-4-phenylsulfanyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110574296
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582438
3-(2,5-dimethylanilino)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110595786
3-(3-methylpiperidin-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110561504
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581247
1-(2,4-dimethylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582456
1-(2-ethoxyphenyl)-3-(2-hydroxyethylsulfanyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577324

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione (CID 110581255) is 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccccc1N1C(=O)C(O)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is QTPACLSCCOQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-12-24-15-11-7-6-10-14(15)20-18(22)16(17(21)19(20)23)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3.
What are the key properties of 3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
3-hydroxy-4-phenyl-1-(2-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-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).