1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone

C10H9F3O3 — CID 84796758

IUPAC1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(C)=O)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-5(14)7-3-6(16-2)4-8(9(7)15)10(11,12)13/h3-4,15H,1-2H3
InChIKeyWVMBMEFTAUFOOE-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.62
Rot. Bonds2

About 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone

1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 84796758) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
PubChem CID84796758
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(C)=O)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-5(14)7-3-6(16-2)4-8(9(7)15)10(11,12)13/h3-4,15H,1-2H3
InChIKeyWVMBMEFTAUFOOE-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 119022399
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
1-[5-iodo-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131379370
5-methoxy-2,3-bis(trifluoromethyl)benzamide
CID 118854542
3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84807388
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
1-[5-methoxy-3-nitro-2-(trifluoromethyl)phenyl]ethanone
CID 171026031
2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
CID 171031275
2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84803553

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone (CID 84796758) is 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone is COc1cc(C(C)=O)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WVMBMEFTAUFOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-5(14)7-3-6(16-2)4-8(9(7)15)10(11,12)13/h3-4,15H,1-2H3.
What are the key properties of 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 234.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 84796758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).