3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C20H19NO5 — CID 110582215

IUPAC3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(O)=C(c3ccc(OC(C)C)cc3)C2=O)c1
InChIInChI=1S/C20H19NO5/c1-12(2)26-15-9-7-13(8-10-15)17-18(22)20(24)21(19(17)23)14-5-4-6-16(11-14)25-3/h4-12,22H,1-3H3
InChIKeyCYZBNSFVRORKDR-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.32
Rot. Bonds5

About 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110582215) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110582215
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(O)=C(c3ccc(OC(C)C)cc3)C2=O)c1
InChIInChI=1S/C20H19NO5/c1-12(2)26-15-9-7-13(8-10-15)17-18(22)20(24)21(19(17)23)14-5-4-6-16(11-14)25-3/h4-12,22H,1-3H3
InChIKeyCYZBNSFVRORKDR-UHFFFAOYSA-N
XLogP3.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
1-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582313
1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574844
1-(3-methoxyphenyl)-3-phenylsulfanyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574859
1-(4-ethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582293
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
1-(2,5-difluorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582334
3-hydroxy-4-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581944
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110582215) is 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is COc1cccc(N2C(=O)C(O)=C(c3ccc(OC(C)C)cc3)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is CYZBNSFVRORKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12(2)26-15-9-7-13(8-10-15)17-18(22)20(24)21(19(17)23)14-5-4-6-16(11-14)25-3/h4-12,22H,1-3H3.
What are the key properties of 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 353.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).