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

C18H15NO4 — CID 2868775

IUPAC3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1
InChIInChI=1S/C18H15NO4/c1-11(20)15-16(12-5-3-2-4-6-12)19(18(23)17(15)22)13-7-9-14(21)10-8-13/h2-10,16,21-22H,1H3
InChIKeyATVXNHHRWCBABS-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.88
Rot. Bonds3

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

3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 2868775) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID2868775
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1
InChIInChI=1S/C18H15NO4/c1-11(20)15-16(12-5-3-2-4-6-12)19(18(23)17(15)22)13-7-9-14(21)10-8-13/h2-10,16,21-22H,1H3
InChIKeyATVXNHHRWCBABS-UHFFFAOYSA-N
XLogP2.88
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.88
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-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one (CID 2868775) is 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ATVXNHHRWCBABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11(20)15-16(12-5-3-2-4-6-12)19(18(23)17(15)22)13-7-9-14(21)10-8-13/h2-10,16,21-22H,1H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 309.32 g/mol, XLogP of 2.88, 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-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 2868775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).