1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone

C10H9F3O2 — CID 171027201

IUPAC1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(O)c(C(F)(F)F)cc1C
InChIInChI=1S/C10H9F3O2/c1-5-3-8(10(11,12)13)9(15)4-7(5)6(2)14/h3-4,15H,1-2H3
InChIKeyVRISRRKSIPJVLM-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.92
Rot. Bonds1

About 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone

1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 171027201) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
PubChem CID171027201
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(O)c(C(F)(F)F)cc1C
InChIInChI=1S/C10H9F3O2/c1-5-3-8(10(11,12)13)9(15)4-7(5)6(2)14/h3-4,15H,1-2H3
InChIKeyVRISRRKSIPJVLM-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,4-dimethyl-5-(trifluoromethyl)phenyl]ethanone
CID 131384997
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
1-(5-hydroxy-2,4-dimethylphenyl)ethanone
CID 119014480
1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 131369725
2,5-dimethyl-4-(trifluoromethyl)phenol
CID 121432589
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 171016157
1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
CID 131330773
1-[4-chloro-5-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 171003757
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
1-[3-hydroxy-2-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 171027246
4-acetyl-5-hydroxy-2-(trifluoromethyl)benzonitrile
CID 171019981
4-acetyl-2-methyl-5-(trifluoromethyl)benzonitrile
CID 131623525

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone (CID 171027201) is 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(O)c(C(F)(F)F)cc1C.
What is the InChIKey of 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VRISRRKSIPJVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-5-3-8(10(11,12)13)9(15)4-7(5)6(2)14/h3-4,15H,1-2H3.
What are the key properties of 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone?
1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171027201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).