2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one

C21H23NO8 — CID 3813203

IUPAC2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1OC
InChIInChI=1S/C21H23NO8/c1-27-14-6-5-13(12-16(14)28-2)18-17(19(24)15-4-3-9-30-15)20(25)21(26)22(18)7-10-29-11-8-23/h3-6,9,12,18,23,25H,7-8,10-11H2,1-2H3
InChIKeyORJHVAUEJAGCBR-UHFFFAOYSA-N
MW417.41 g/mol
LogP1.88
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one

2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one (PubChem CID 3813203) has the molecular formula C21H23NO8 and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one
PubChem CID3813203
Molecular FormulaC21H23NO8
Molecular Weight417.41 g/mol
Exact Mass417.14
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1OC
InChIInChI=1S/C21H23NO8/c1-27-14-6-5-13(12-16(14)28-2)18-17(19(24)15-4-3-9-30-15)20(25)21(26)22(18)7-10-29-11-8-23/h3-6,9,12,18,23,25H,7-8,10-11H2,1-2H3
InChIKeyORJHVAUEJAGCBR-UHFFFAOYSA-N
XLogP1.88
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one (CID 3813203) is 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one?
The InChIKey is ORJHVAUEJAGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO8/c1-27-14-6-5-13(12-16(14)28-2)18-17(19(24)15-4-3-9-30-15)20(25)21(26)22(18)7-10-29-11-8-23/h3-6,9,12,18,23,25H,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one?
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one has a molecular weight of 417.41 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5-one is sourced from PubChem (CID 3813203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).