1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone

C16H13F3O2 — CID 172649659

IUPAC1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3O2/c1-10-3-4-13(11(2)20)9-15(10)12-5-7-14(8-6-12)21-16(17,18)19/h3-9H,1-2H3
InChIKeyQMLZSZFGILJYKV-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.76
Rot. Bonds3

About 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone

1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone (PubChem CID 172649659) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
PubChem CID172649659
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3O2/c1-10-3-4-13(11(2)20)9-15(10)12-5-7-14(8-6-12)21-16(17,18)19/h3-9H,1-2H3
InChIKeyQMLZSZFGILJYKV-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-[5-oxo-8-(trifluoromethoxy)dibenzothiophen-2-yl]ethanone
CID 71712775
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide
CID 141128182
1-[3-ethyl-1,7-dimethyl-5-[4-(trifluoromethoxy)phenyl]-4H-quinolin-8-yl]ethanone
CID 168904975

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone (CID 172649659) is 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone is CC(=O)c1ccc(C)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone?
The InChIKey is QMLZSZFGILJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-10-3-4-13(11(2)20)9-15(10)12-5-7-14(8-6-12)21-16(17,18)19/h3-9H,1-2H3.
What are the key properties of 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone?
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone is sourced from PubChem (CID 172649659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).