3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one

C17H15F3O — CID 102755961

IUPAC3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
SMILESCc1cc(C(F)(F)F)ccc1CCC(=O)c1ccccc1
InChIInChI=1S/C17H15F3O/c1-12-11-15(17(18,19)20)9-7-13(12)8-10-16(21)14-5-3-2-4-6-14/h2-7,9,11H,8,10H2,1H3
InChIKeyAZPZRCBWQKOMGF-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.83
Rot. Bonds4

About 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one

3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one (PubChem CID 102755961) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
PubChem CID102755961
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
SMILESCc1cc(C(F)(F)F)ccc1CCC(=O)c1ccccc1
InChIInChI=1S/C17H15F3O/c1-12-11-15(17(18,19)20)9-7-13(12)8-10-16(21)14-5-3-2-4-6-14/h2-7,9,11H,8,10H2,1H3
InChIKeyAZPZRCBWQKOMGF-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-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
3-[4-[3-[benzyl-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenoxy]-2-methylphenyl]propanoic acid
CID 58853794
3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
CID 103434291
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
CID 43438809

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one?
The IUPAC name of 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one (CID 102755961) is 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one is Cc1cc(C(F)(F)F)ccc1CCC(=O)c1ccccc1.
What is the InChIKey of 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one?
The InChIKey is AZPZRCBWQKOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12-11-15(17(18,19)20)9-7-13(12)8-10-16(21)14-5-3-2-4-6-14/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one?
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-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-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one is sourced from PubChem (CID 102755961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).