3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one

C19H17NO4 — CID 3124166

IUPAC3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc(C)cc1
InChIInChI=1S/C19H17NO4/c1-11-3-5-13(6-4-11)17-16(12(2)21)18(23)19(24)20(17)14-7-9-15(22)10-8-14/h3-10,17,22-23H,1-2H3
InChIKeyMMRHGDQBGXEKHH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.19
Rot. Bonds3

About 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 3124166) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID3124166
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc(C)cc1
InChIInChI=1S/C19H17NO4/c1-11-3-5-13(6-4-11)17-16(12(2)21)18(23)19(24)20(17)14-7-9-15(22)10-8-14/h3-10,17,22-23H,1-2H3
InChIKeyMMRHGDQBGXEKHH-UHFFFAOYSA-N
XLogP3.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one (CID 3124166) is 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc(C)cc1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is MMRHGDQBGXEKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-3-5-13(6-4-11)17-16(12(2)21)18(23)19(24)20(17)14-7-9-15(22)10-8-14/h3-10,17,22-23H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 323.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3124166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).