2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone

C16H13F3O2 — CID 139247581

IUPAC2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccccc1OCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O2/c1-11-4-2-3-5-15(11)21-10-14(20)12-6-8-13(9-7-12)16(17,18)19/h2-9H,10H2,1H3
InChIKeyFIRGGRIQTAHJIE-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.28
Rot. Bonds4

About 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 139247581) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID139247581
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccccc1OCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O2/c1-11-4-2-3-5-15(11)21-10-14(20)12-6-8-13(9-7-12)16(17,18)19/h2-9H,10H2,1H3
InChIKeyFIRGGRIQTAHJIE-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247580
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
[2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]boronic acid
CID 15965750
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413142
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 66095873
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 139247581) is 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccccc1OCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FIRGGRIQTAHJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-11-4-2-3-5-15(11)21-10-14(20)12-6-8-13(9-7-12)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 139247581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).