(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C17H15F3O — CID 102757027

IUPAC(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(F)(F)F)cc2C)cc1C
InChIInChI=1S/C17H15F3O/c1-10-4-5-13(8-11(10)2)16(21)15-7-6-14(9-12(15)3)17(18,19)20/h4-9H,1-3H3
InChIKeyBOHIHXFRWYQGTL-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.86
Rot. Bonds2

About (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102757027) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102757027
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(F)(F)F)cc2C)cc1C
InChIInChI=1S/C17H15F3O/c1-10-4-5-13(8-11(10)2)16(21)15-7-6-14(9-12(15)3)17(18,19)20/h4-9H,1-3H3
InChIKeyBOHIHXFRWYQGTL-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756821
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102757027) is (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)c2ccc(C(F)(F)F)cc2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BOHIHXFRWYQGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10-4-5-13(8-11(10)2)16(21)15-7-6-14(9-12(15)3)17(18,19)20/h4-9H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 292.30 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102757027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).