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

C16H19NO4 — CID 110582408

IUPAC3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H19NO4/c1-4-9-21-12-7-5-11(6-8-12)13-14(18)16(20)17(10(2)3)15(13)19/h5-8,10,18H,4,9H2,1-3H3
InChIKeyAMUVGDNEQSKTDM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.52
Rot. Bonds5

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

3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110582408) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110582408
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H19NO4/c1-4-9-21-12-7-5-11(6-8-12)13-14(18)16(20)17(10(2)3)15(13)19/h5-8,10,18H,4,9H2,1-3H3
InChIKeyAMUVGDNEQSKTDM-UHFFFAOYSA-N
XLogP2.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.52
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-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
3-hydroxy-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582399
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
1-[2-(3,5-dimethylphenoxy)ethyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582405
3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577195
3-hydroxy-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582461
1-(4-butylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582426
1-(2,4-dimethylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582456
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582438
butyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
CID 110582457

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110582408) is 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccc(C2=C(O)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is AMUVGDNEQSKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-9-21-12-7-5-11(6-8-12)13-14(18)16(20)17(10(2)3)15(13)19/h5-8,10,18H,4,9H2,1-3H3.
What are the key properties of 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).