3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one

C24H21NO6 — CID 647552

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)ccc1O
InChIInChI=1S/C24H21NO6/c1-30-19-14-16(9-10-17(19)26)21-20(22(27)18-8-5-13-31-18)23(28)24(29)25(21)12-11-15-6-3-2-4-7-15/h2-10,13-14,21,26,28H,11-12H2,1H3
InChIKeyQHVWLNLVYIXXIS-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.81
Rot. Bonds7

About 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 647552) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID647552
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)ccc1O
InChIInChI=1S/C24H21NO6/c1-30-19-14-16(9-10-17(19)26)21-20(22(27)18-8-5-13-31-18)23(28)24(29)25(21)12-11-15-6-3-2-4-7-15/h2-10,13-14,21,26,28H,11-12H2,1H3
InChIKeyQHVWLNLVYIXXIS-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 647552) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)ccc1O.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is QHVWLNLVYIXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-30-19-14-16(9-10-17(19)26)21-20(22(27)18-8-5-13-31-18)23(28)24(29)25(21)12-11-15-6-3-2-4-7-15/h2-10,13-14,21,26,28H,11-12H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 419.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 647552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).