2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone

C22H17F3O — CID 118130027

IUPAC2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3O/c1-15-10-12-16(13-11-15)20(21(26)17-6-3-2-4-7-17)18-8-5-9-19(14-18)22(23,24)25/h2-14,20H,1H3
InChIKeyKBCZWAZQJJJYLE-UHFFFAOYSA-N
MW354.37 g/mol
LogP6.03
Rot. Bonds4

About 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone

2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 118130027) has the molecular formula C22H17F3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID118130027
Molecular FormulaC22H17F3O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3O/c1-15-10-12-16(13-11-15)20(21(26)17-6-3-2-4-7-17)18-8-5-9-19(14-18)22(23,24)25/h2-14,20H,1H3
InChIKeyKBCZWAZQJJJYLE-UHFFFAOYSA-N
XLogP6.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.37
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
2-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 134951743
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120666705
2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
CID 56956568
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone (CID 118130027) is 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KBCZWAZQJJJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O/c1-15-10-12-16(13-11-15)20(21(26)17-6-3-2-4-7-17)18-8-5-9-19(14-18)22(23,24)25/h2-14,20H,1H3.
What are the key properties of 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone?
2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 354.37 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 118130027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).