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

C18H14FNO4 — CID 2890323

IUPAC3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1cccc(F)c1
InChIInChI=1S/C18H14FNO4/c1-10(21)15-16(11-3-2-4-12(19)9-11)20(18(24)17(15)23)13-5-7-14(22)8-6-13/h2-9,16,22-23H,1H3
InChIKeyNMZKQWZQSHTDQX-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.02
Rot. Bonds3

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

3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 2890323) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID2890323
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1cccc(F)c1
InChIInChI=1S/C18H14FNO4/c1-10(21)15-16(11-3-2-4-12(19)9-11)20(18(24)17(15)23)13-5-7-14(22)8-6-13/h2-9,16,22-23H,1H3
InChIKeyNMZKQWZQSHTDQX-UHFFFAOYSA-N
XLogP3.02
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one (CID 2890323) is 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1cccc(F)c1.
What is the InChIKey of 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is NMZKQWZQSHTDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-10(21)15-16(11-3-2-4-12(19)9-11)20(18(24)17(15)23)13-5-7-14(22)8-6-13/h2-9,16,22-23H,1H3.
What are the key properties of 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one?
3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 327.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2890323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).