3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one

C26H25NO6 — CID 108707879

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one
SMILESCC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)cc1
InChIInChI=1S/C26H25NO6/c1-26(2,3)33-19-12-6-16(7-13-19)15-27-22(17-8-10-18(28)11-9-17)21(24(30)25(27)31)23(29)20-5-4-14-32-20/h4-14,22,28,30H,15H2,1-3H3
InChIKeyKYTWTKWWKPWJTE-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.94
Rot. Bonds6

About 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one (PubChem CID 108707879) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one
PubChem CID108707879
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one
SMILESCC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)cc1
InChIInChI=1S/C26H25NO6/c1-26(2,3)33-19-12-6-16(7-13-19)15-27-22(17-8-10-18(28)11-9-17)21(24(30)25(27)31)23(29)20-5-4-14-32-20/h4-14,22,28,30H,15H2,1-3H3
InChIKeyKYTWTKWWKPWJTE-UHFFFAOYSA-N
XLogP4.94
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4059891
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108618033
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108612179
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 3152749
2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4630763
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 986549
(2R)-1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 7274668
1-butyl-2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 44858136
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one
CID 108707764
1-butyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108621310

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one (CID 108707879) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one is CC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one?
The InChIKey is KYTWTKWWKPWJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-26(2,3)33-19-12-6-16(7-13-19)15-27-22(17-8-10-18(28)11-9-17)21(24(30)25(27)31)23(29)20-5-4-14-32-20/h4-14,22,28,30H,15H2,1-3H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one has a molecular weight of 447.49 g/mol, XLogP of 4.94, 6 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-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108707879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).