5-methylsulfonyl-2-(trifluoromethoxy)phenol

C8H7F3O4S — CID 168964303

IUPAC5-methylsulfonyl-2-(trifluoromethoxy)phenol
SMILESCS(=O)(=O)c1ccc(OC(F)(F)F)c(O)c1
InChIInChI=1S/C8H7F3O4S/c1-16(13,14)5-2-3-7(6(12)4-5)15-8(9,10)11/h2-4,12H,1H3
InChIKeyLJERGBXGXWMYDZ-UHFFFAOYSA-N
MW256.20 g/mol
LogP1.69
Rot. Bonds2

About 5-methylsulfonyl-2-(trifluoromethoxy)phenol

5-methylsulfonyl-2-(trifluoromethoxy)phenol (PubChem CID 168964303) has the molecular formula C8H7F3O4S and a molecular weight of 256.20 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name5-methylsulfonyl-2-(trifluoromethoxy)phenol
PubChem CID168964303
Molecular FormulaC8H7F3O4S
Molecular Weight256.20 g/mol
Exact Mass256.00
IUPAC Name5-methylsulfonyl-2-(trifluoromethoxy)phenol
SMILESCS(=O)(=O)c1ccc(OC(F)(F)F)c(O)c1
InChIInChI=1S/C8H7F3O4S/c1-16(13,14)5-2-3-7(6(12)4-5)15-8(9,10)11/h2-4,12H,1H3
InChIKeyLJERGBXGXWMYDZ-UHFFFAOYSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]aniline
CID 167530156
2-methylsulfonyl-4-nitro-1-(trifluoromethoxy)benzene
CID 22311166
2-bromo-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998241
3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
N-[(3,4-dihydroxyphenyl)methyl]-3-methylsulfonyl-4-(trifluoromethoxy)benzenesulfonamide
CID 67988372
1-methoxy-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 121234937
2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
CID 68843580
2-chloro-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998251
5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 155598050
4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
CID 170999351
3-sulfanyl-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170999358
5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoate
CID 150772817

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(trifluoromethoxy)phenol?
The IUPAC name of 5-methylsulfonyl-2-(trifluoromethoxy)phenol (CID 168964303) is 5-methylsulfonyl-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 5-methylsulfonyl-2-(trifluoromethoxy)phenol?
The canonical SMILES for 5-methylsulfonyl-2-(trifluoromethoxy)phenol is CS(=O)(=O)c1ccc(OC(F)(F)F)c(O)c1.
What is the InChIKey of 5-methylsulfonyl-2-(trifluoromethoxy)phenol?
The InChIKey is LJERGBXGXWMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O4S/c1-16(13,14)5-2-3-7(6(12)4-5)15-8(9,10)11/h2-4,12H,1H3.
What are the key properties of 5-methylsulfonyl-2-(trifluoromethoxy)phenol?
5-methylsulfonyl-2-(trifluoromethoxy)phenol has a molecular weight of 256.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 168964303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).