1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone

C9H7F3O3 — CID 167069993

IUPAC1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C9H7F3O3/c1-5(13)7-3-2-6(14)4-8(7)15-9(10,11)12/h2-4,14H,1H3
InChIKeyOMZVLGWZIYJEKF-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.49
Rot. Bonds2

About 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone

1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 167069993) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
PubChem CID167069993
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C9H7F3O3/c1-5(13)7-3-2-6(14)4-8(7)15-9(10,11)12/h2-4,14H,1H3
InChIKeyOMZVLGWZIYJEKF-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619731
1-[4-ethyl-2-(trifluoromethoxy)phenyl]ethanone
CID 170909582
4-acetyl-3-(trifluoromethoxy)benzaldehyde
CID 170909674
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054
1-[5-chloro-4-methyl-2-(trifluoromethoxy)phenyl]ethanone
CID 171009846
1-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667
1-[2,5-dibromo-4-(trifluoromethoxy)phenyl]ethanone
CID 171005603

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone (CID 167069993) is 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1ccc(O)cc1OC(F)(F)F.
What is the InChIKey of 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is OMZVLGWZIYJEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-5(13)7-3-2-6(14)4-8(7)15-9(10,11)12/h2-4,14H,1H3.
What are the key properties of 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone?
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 220.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 167069993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).