2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone

C10H9F3O3 — CID 548407

IUPAC2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCOC(O)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,9,15H,1H3
InChIKeySZNJOVVBEPAZDJ-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.85
Rot. Bonds3

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

2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 548407) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID548407
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCOC(O)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,9,15H,1H3
InChIKeySZNJOVVBEPAZDJ-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone (CID 548407) is 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone is COC(O)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is SZNJOVVBEPAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13/h2-5,9,15H,1H3.
What are the key properties of 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 234.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 548407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).