(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

C24H16F3NO5 — CID 108708001

IUPAC(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(c2ccc(O)cc2)/C1=C(\O)c1ccccc1
InChIInChI=1S/C24H16F3NO5/c25-24(26,27)33-18-12-8-16(9-13-18)28-20(14-6-10-17(29)11-7-14)19(22(31)23(28)32)21(30)15-4-2-1-3-5-15/h1-13,20,29-30H/b21-19+
InChIKeyBLGHZKGOGVRXCN-XUTLUUPISA-N
MW455.39 g/mol
LogP4.92
Rot. Bonds4

About (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (PubChem CID 108708001) has the molecular formula C24H16F3NO5 and a molecular weight of 455.39 g/mol. Its IUPAC name is (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
PubChem CID108708001
Molecular FormulaC24H16F3NO5
Molecular Weight455.39 g/mol
Exact Mass455.10
IUPAC Name(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(c2ccc(O)cc2)/C1=C(\O)c1ccccc1
InChIInChI=1S/C24H16F3NO5/c25-24(26,27)33-18-12-8-16(9-13-18)28-20(14-6-10-17(29)11-7-14)19(22(31)23(28)32)21(30)15-4-2-1-3-5-15/h1-13,20,29-30H/b21-19+
InChIKeyBLGHZKGOGVRXCN-XUTLUUPISA-N
XLogP4.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 7420614
(4Z,5R)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 98335436
(4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-hydroxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108708003
(4E,5R)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 5442055
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108708022
(4Z)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108708059
(4E)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108707929
(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108708045
(4E)-4-[(5-tert-butyl-2-methylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108708055
(5R)-1,5-bis(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1037732
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108713153
(4E)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108707956

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (CID 108708001) is (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is O=C1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(c2ccc(O)cc2)/C1=C(\O)c1ccccc1.
What is the InChIKey of (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The InChIKey is BLGHZKGOGVRXCN-XUTLUUPISA-N. The full InChI is InChI=1S/C24H16F3NO5/c25-24(26,27)33-18-12-8-16(9-13-18)28-20(14-6-10-17(29)11-7-14)19(22(31)23(28)32)21(30)15-4-2-1-3-5-15/h1-13,20,29-30H/b21-19+.
What are the key properties of (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione has a molecular weight of 455.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 108708001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).