4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C23H25NO4 — CID 108604738

IUPAC4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1cccc(O)c1
InChIInChI=1S/C23H25NO4/c1-13(2)15-8-10-17(11-9-15)24-20(16-6-5-7-18(25)12-16)19(21(26)14(3)4)22(27)23(24)28/h5-14,20,25,27H,1-4H3
InChIKeyBVSPRDOZCJMXKE-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.64
Rot. Bonds5

About 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 108604738) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID108604738
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1cccc(O)c1
InChIInChI=1S/C23H25NO4/c1-13(2)15-8-10-17(11-9-15)24-20(16-6-5-7-18(25)12-16)19(21(26)14(3)4)22(27)23(24)28/h5-14,20,25,27H,1-4H3
InChIKeyBVSPRDOZCJMXKE-UHFFFAOYSA-N
XLogP4.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108604999
4-hydroxy-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591029
1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679665
(2S)-3-acetyl-4-hydroxy-2-(3-hydroxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 51854887
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108647560
[3-[4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108688257
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108680100
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108647473
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681050
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638037
1-(3,5-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108681837

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 108604738) is 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1cccc(O)c1.
What is the InChIKey of 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is BVSPRDOZCJMXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-13(2)15-8-10-17(11-9-15)24-20(16-6-5-7-18(25)12-16)19(21(26)14(3)4)22(27)23(24)28/h5-14,20,25,27H,1-4H3.
What are the key properties of 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 379.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).