3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one

C17H15F3O — CID 24725641

IUPAC3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccccc1CCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3O/c1-12-5-2-3-6-13(12)9-10-16(21)14-7-4-8-15(11-14)17(18,19)20/h2-8,11H,9-10H2,1H3
InChIKeyYTNHRZSPPQXLKT-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.83
Rot. Bonds4

About 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one

3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 24725641) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID24725641
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccccc1CCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3O/c1-12-5-2-3-6-13(12)9-10-16(21)14-7-4-8-15(11-14)17(18,19)20/h2-8,11H,9-10H2,1H3
InChIKeyYTNHRZSPPQXLKT-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-[3-(2-methylphenyl)propanoyl]benzonitrile
CID 24725616
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726630
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
2-methylhexane;1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 142809248
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one (CID 24725641) is 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one is Cc1ccccc1CCC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is YTNHRZSPPQXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12-5-2-3-6-13(12)9-10-16(21)14-7-4-8-15(11-14)17(18,19)20/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 292.30 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 24725641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).