1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one

C23H17F3O — CID 71363336

IUPAC1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C23H17F3O/c1-16-12-14-19(15-13-16)22(27)21(23(24,25)26)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyZTSBXHFWBOPQME-UHFFFAOYSA-N
MW366.38 g/mol
LogP6.24
Rot. Bonds4

About 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one

1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one (PubChem CID 71363336) has the molecular formula C23H17F3O and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
PubChem CID71363336
Molecular FormulaC23H17F3O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC Name1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C23H17F3O/c1-16-12-14-19(15-13-16)22(27)21(23(24,25)26)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyZTSBXHFWBOPQME-UHFFFAOYSA-N
XLogP6.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-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

benzoic acid;4-methylbenzoic acid
CID 71272637
(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229425
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
methanol;toluene;2,2,2-trifluoroacetic acid
CID 175547904
bromobenzene;4-methylbenzoic acid
CID 175243849
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
CID 11747812
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
CID 2781162
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one?
The IUPAC name of 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one (CID 71363336) is 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one is Cc1ccc(C(=O)C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one?
The InChIKey is ZTSBXHFWBOPQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3O/c1-16-12-14-19(15-13-16)22(27)21(23(24,25)26)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one?
1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one has a molecular weight of 366.38 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one is sourced from PubChem (CID 71363336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).