1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one

C11H11F3O3 — CID 84803557

IUPAC1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
SMILESCOc1cc(C(F)(F)F)cc(O)c1CC(C)=O
InChIInChI=1S/C11H11F3O3/c1-6(15)3-8-9(16)4-7(11(12,13)14)5-10(8)17-2/h4-5,16H,3H2,1-2H3
InChIKeyJNEJGEWAVYAQDK-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.55
Rot. Bonds3

About 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one

1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 84803557) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID84803557
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
SMILESCOc1cc(C(F)(F)F)cc(O)c1CC(C)=O
InChIInChI=1S/C11H11F3O3/c1-6(15)3-8-9(16)4-7(11(12,13)14)5-10(8)17-2/h4-5,16H,3H2,1-2H3
InChIKeyJNEJGEWAVYAQDK-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
1-(2-chloro-6-hydroxy-3-methoxyphenyl)propan-2-one
CID 84783610
2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol
CID 84803554
1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
CID 84797165
5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
CID 83921023
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380865
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
2-fluoro-3-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171020416
5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
CID 90487582

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one (CID 84803557) is 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one is COc1cc(C(F)(F)F)cc(O)c1CC(C)=O.
What is the InChIKey of 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is JNEJGEWAVYAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-6(15)3-8-9(16)4-7(11(12,13)14)5-10(8)17-2/h4-5,16H,3H2,1-2H3.
What are the key properties of 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one?
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 248.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 84803557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).