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

C27H22F3NO4 — CID 108713185

IUPAC4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C27H22F3NO4/c1-17-6-5-9-19(16-17)24-23(22(32)15-10-18-7-3-2-4-8-18)25(33)26(34)31(24)20-11-13-21(14-12-20)35-27(28,29)30/h2-9,11-14,16,24,33H,10,15H2,1H3
InChIKeyWEPKWTQNTVRTKF-UHFFFAOYSA-N
MW481.47 g/mol
LogP6.00
Rot. Bonds7

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

4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 108713185) has the molecular formula C27H22F3NO4 and a molecular weight of 481.47 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID108713185
Molecular FormulaC27H22F3NO4
Molecular Weight481.47 g/mol
Exact Mass481.15
IUPAC Name4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C27H22F3NO4/c1-17-6-5-9-19(16-17)24-23(22(32)15-10-18-7-3-2-4-8-18)25(33)26(34)31(24)20-11-13-21(14-12-20)35-27(28,29)30/h2-9,11-14,16,24,33H,10,15H2,1H3
InChIKeyWEPKWTQNTVRTKF-UHFFFAOYSA-N
XLogP6.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-(3-methylphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108713011
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108637636
[3-[1-(4-cyanophenyl)-4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-2-yl]phenyl] acetate
CID 108688449
4-[4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]benzenesulfonamide
CID 108699545
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108575965
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108713186
propan-2-yl 4-[4-hydroxy-5-oxo-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]benzoate
CID 108678046
4-hydroxy-1-(3-methoxypropyl)-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619786
1-(1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108585225
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584249

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (CID 108713185) is 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is WEPKWTQNTVRTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3NO4/c1-17-6-5-9-19(16-17)24-23(22(32)15-10-18-7-3-2-4-8-18)25(33)26(34)31(24)20-11-13-21(14-12-20)35-27(28,29)30/h2-9,11-14,16,24,33H,10,15H2,1H3.
What are the key properties of 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 481.47 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108713185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).