2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

C19H16F3NO3 — CID 68633859

IUPAC2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESCCc1cccc(C2C=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H16F3NO3/c1-2-12-4-3-5-13(10-12)16-11-17(24)18(25)23(16)14-6-8-15(9-7-14)26-19(20,21)22/h3-11,16,24H,2H2,1H3
InChIKeyZPQMSXQFUDUIQH-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.68
Rot. Bonds4

About 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 68633859) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID68633859
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESCCc1cccc(C2C=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H16F3NO3/c1-2-12-4-3-5-13(10-12)16-11-17(24)18(25)23(16)14-6-8-15(9-7-14)26-19(20,21)22/h3-11,16,24H,2H2,1H3
InChIKeyZPQMSXQFUDUIQH-UHFFFAOYSA-N
XLogP4.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (CID 68633859) is 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is CCc1cccc(C2C=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is ZPQMSXQFUDUIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-2-12-4-3-5-13(10-12)16-11-17(24)18(25)23(16)14-6-8-15(9-7-14)26-19(20,21)22/h3-11,16,24H,2H2,1H3.
What are the key properties of 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 363.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 68633859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).