1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one

C24H21NO6 — CID 3154121

IUPAC1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)ccc1O
InChIInChI=1S/C24H21NO6/c1-2-30-19-13-16(10-11-17(19)26)21-20(22(27)18-9-6-12-31-18)23(28)24(29)25(21)14-15-7-4-3-5-8-15/h3-13,21,26,28H,2,14H2,1H3
InChIKeyGLGAOCHWYMMJHC-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.16
Rot. Bonds7

About 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one

1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 3154121) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID3154121
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)ccc1O
InChIInChI=1S/C24H21NO6/c1-2-30-19-13-16(10-11-17(19)26)21-20(22(27)18-9-6-12-31-18)23(28)24(29)25(21)14-15-7-4-3-5-8-15/h3-13,21,26,28H,2,14H2,1H3
InChIKeyGLGAOCHWYMMJHC-UHFFFAOYSA-N
XLogP4.16
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one (CID 3154121) is 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)ccc1O.
What is the InChIKey of 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is GLGAOCHWYMMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-2-30-19-13-16(10-11-17(19)26)21-20(22(27)18-9-6-12-31-18)23(28)24(29)25(21)14-15-7-4-3-5-8-15/h3-13,21,26,28H,2,14H2,1H3.
What are the key properties of 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 419.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 3154121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).