3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

C19H17NO5 — CID 110581570

IUPAC3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(O)=C(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C19H17NO5/c1-24-13-9-7-12(8-10-13)11-20-18(22)16(17(21)19(20)23)14-5-3-4-6-15(14)25-2/h3-10,21H,11H2,1-2H3
InChIKeyFPOQJUAENNFUSK-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.54
Rot. Bonds5

About 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 110581570) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID110581570
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(O)=C(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C19H17NO5/c1-24-13-9-7-12(8-10-13)11-20-18(22)16(17(21)19(20)23)14-5-3-4-6-15(14)25-2/h3-10,21H,11H2,1-2H3
InChIKeyFPOQJUAENNFUSK-UHFFFAOYSA-N
XLogP2.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.54
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

3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581599
3-(4-ethylpiperazin-1-yl)-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110565444
1-benzyl-3-chloro-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583813
1-[2-(3,4-diethoxyphenyl)ethyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581569
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583819
3-benzylsulfanyl-1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566216
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
3-(3-fluoroanilino)-1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597775
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110566565
1-[(4-chlorophenyl)methyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565474
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110597544

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 110581570) is 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(CN2C(=O)C(O)=C(c3ccccc3OC)C2=O)cc1.
What is the InChIKey of 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is FPOQJUAENNFUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-13-9-7-12(8-10-13)11-20-18(22)16(17(21)19(20)23)14-5-3-4-6-15(14)25-2/h3-10,21H,11H2,1-2H3.
What are the key properties of 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 339.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110581570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).