(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid

C22H20F3NO3 — CID 87598273

IUPAC(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C(/c1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO3/c23-22(24,25)18-8-4-16(5-9-18)20(2-1-3-21(27)28)17-6-10-19(11-7-17)26-12-14-29-15-13-26/h1-11H,12-15H2,(H,27,28)/b3-1+,20-2+
InChIKeyLEPOZXNVWTXGNW-LIHDISHQSA-N
MW403.40 g/mol
LogP4.61
Rot. Bonds5

About (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid

(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid (PubChem CID 87598273) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
PubChem CID87598273
Molecular FormulaC22H20F3NO3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C(/c1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO3/c23-22(24,25)18-8-4-16(5-9-18)20(2-1-3-21(27)28)17-6-10-19(11-7-17)26-12-14-29-15-13-26/h1-11H,12-15H2,(H,27,28)/b3-1+,20-2+
InChIKeyLEPOZXNVWTXGNW-LIHDISHQSA-N
XLogP4.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid (CID 87598273) is (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid is O=C(O)/C=C/C=C(/c1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
The InChIKey is LEPOZXNVWTXGNW-LIHDISHQSA-N. The full InChI is InChI=1S/C22H20F3NO3/c23-22(24,25)18-8-4-16(5-9-18)20(2-1-3-21(27)28)17-6-10-19(11-7-17)26-12-14-29-15-13-26/h1-11H,12-15H2,(H,27,28)/b3-1+,20-2+.
What are the key properties of (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid has a molecular weight of 403.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid is sourced from PubChem (CID 87598273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).