3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one

C24H21NO6 — CID 2918125

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21NO6/c1-29-14-12-25-21(20(23(27)24(25)28)22(26)19-11-6-13-30-19)16-7-5-10-18(15-16)31-17-8-3-2-4-9-17/h2-11,13,15,21,27H,12,14H2,1H3
InChIKeyUDRSZWHWQPQEBK-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.30
Rot. Bonds8

About 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one (PubChem CID 2918125) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
PubChem CID2918125
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21NO6/c1-29-14-12-25-21(20(23(27)24(25)28)22(26)19-11-6-13-30-19)16-7-5-10-18(15-16)31-17-8-3-2-4-9-17/h2-11,13,15,21,27H,12,14H2,1H3
InChIKeyUDRSZWHWQPQEBK-UHFFFAOYSA-N
XLogP4.30
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one (CID 2918125) is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is UDRSZWHWQPQEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-29-14-12-25-21(20(23(27)24(25)28)22(26)19-11-6-13-30-19)16-7-5-10-18(15-16)31-17-8-3-2-4-9-17/h2-11,13,15,21,27H,12,14H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 419.43 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2918125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).