3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one

C24H24F3NO5 — CID 154364609

IUPAC3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one
SMILESCOc1ccc(C(C=Cc2ccc(OC(F)(F)F)cc2)=CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C24H24F3NO5/c1-30-21-10-7-18(15-22(21)31-2)19(16-23(29)28-11-13-32-14-12-28)6-3-17-4-8-20(9-5-17)33-24(25,26)27/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPWLGYIAVURQRCF-UHFFFAOYSA-N
MW463.45 g/mol
LogP4.56
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one

3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one (PubChem CID 154364609) has the molecular formula C24H24F3NO5 and a molecular weight of 463.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one
PubChem CID154364609
Molecular FormulaC24H24F3NO5
Molecular Weight463.45 g/mol
Exact Mass463.16
IUPAC Name3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one
SMILESCOc1ccc(C(C=Cc2ccc(OC(F)(F)F)cc2)=CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C24H24F3NO5/c1-30-21-10-7-18(15-22(21)31-2)19(16-23(29)28-11-13-32-14-12-28)6-3-17-4-8-20(9-5-17)33-24(25,26)27/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPWLGYIAVURQRCF-UHFFFAOYSA-N
XLogP4.56
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-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

3-(3,4-dimethylphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dien-1-one
CID 173398189
3-(3,4-dimethoxyphenyl)-1-thiomorpholin-4-yl-5-[3-(trifluoromethyl)phenyl]penta-2,4-dien-1-one
CID 173398206
(2Z,4E)-3-(4-methoxy-3-methylphenyl)-1-thiomorpholin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dien-1-one
CID 88633587
4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one
CID 154363882
[4-methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]phenyl]-morpholin-4-ylmethanone
CID 75447304
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6052241
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(trifluoromethoxy)benzoate
CID 36828339
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935704
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668
(E)-1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 46399266
(E)-1-(4-phenylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 8713575

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one (CID 154364609) is 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one is COc1ccc(C(C=Cc2ccc(OC(F)(F)F)cc2)=CC(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one?
The InChIKey is PWLGYIAVURQRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO5/c1-30-21-10-7-18(15-22(21)31-2)19(16-23(29)28-11-13-32-14-12-28)6-3-17-4-8-20(9-5-17)33-24(25,26)27/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one?
3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one has a molecular weight of 463.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one is sourced from PubChem (CID 154364609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).