2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone

C17H15F3O2 — CID 139247580

IUPAC2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(C)c1OCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2/c1-11-4-3-5-12(2)16(11)22-10-15(21)13-6-8-14(9-7-13)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyDXDKVJAHPHHYEZ-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.58
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 139247580) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID139247580
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(C)c1OCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2/c1-11-4-3-5-12(2)16(11)22-10-15(21)13-6-8-14(9-7-13)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyDXDKVJAHPHHYEZ-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
[2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]boronic acid
CID 15965750
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanone
CID 43799719
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(2,6-dimethylphenoxy)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 26181706
1-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43224754
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 66095873
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate
CID 139248913
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 139247580) is 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone is Cc1cccc(C)c1OCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DXDKVJAHPHHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-11-4-3-5-12(2)16(11)22-10-15(21)13-6-8-14(9-7-13)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 308.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 139247580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).