3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one

C25H23NO6 — CID 108681577

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
SMILESCC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc(O)c2)cc1
InChIInChI=1S/C25H23NO6/c1-15(2)14-32-19-10-8-17(9-11-19)26-22(16-5-3-6-18(27)13-16)21(24(29)25(26)30)23(28)20-7-4-12-31-20/h3-13,15,22,27,29H,14H2,1-2H3
InChIKeyJASUUEHIOIDOMH-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.80
Rot. Bonds7

About 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 108681577) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
PubChem CID108681577
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
SMILESCC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc(O)c2)cc1
InChIInChI=1S/C25H23NO6/c1-15(2)14-32-19-10-8-17(9-11-19)26-22(16-5-3-6-18(27)13-16)21(24(29)25(26)30)23(28)20-7-4-12-31-20/h3-13,15,22,27,29H,14H2,1-2H3
InChIKeyJASUUEHIOIDOMH-UHFFFAOYSA-N
XLogP4.80
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108699097
1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681838
3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584255
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647648
1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108577113
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
methyl 4-[3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108666566
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
[3-[1-(4-cyanophenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108688436
4-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]benzonitrile
CID 108671162
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2917899

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one (CID 108681577) is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one is CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc(O)c2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is JASUUEHIOIDOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-15(2)14-32-19-10-8-17(9-11-19)26-22(16-5-3-6-18(27)13-16)21(24(29)25(26)30)23(28)20-7-4-12-31-20/h3-13,15,22,27,29H,14H2,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 433.46 g/mol, XLogP of 4.80, 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-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108681577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).