[3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol

C9H9F3O3S — CID 71174903

IUPAC[3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol
SMILESCS(=O)(=O)c1cccc(CO)c1C(F)(F)F
InChIInChI=1S/C9H9F3O3S/c1-16(14,15)7-4-2-3-6(5-13)8(7)9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyLPPUAPVDJOZNSS-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.60
Rot. Bonds2

About [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol

[3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol (PubChem CID 71174903) has the molecular formula C9H9F3O3S and a molecular weight of 254.23 g/mol. Its IUPAC name is [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol
PubChem CID71174903
Molecular FormulaC9H9F3O3S
Molecular Weight254.23 g/mol
Exact Mass254.02
IUPAC Name[3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol
SMILESCS(=O)(=O)c1cccc(CO)c1C(F)(F)F
InChIInChI=1S/C9H9F3O3S/c1-16(14,15)7-4-2-3-6(5-13)8(7)9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyLPPUAPVDJOZNSS-UHFFFAOYSA-N
XLogP1.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol (CID 71174903) is [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol is CS(=O)(=O)c1cccc(CO)c1C(F)(F)F.
What is the InChIKey of [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is LPPUAPVDJOZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3S/c1-16(14,15)7-4-2-3-6(5-13)8(7)9(10,11)12/h2-4,13H,5H2,1H3.
What are the key properties of [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol?
[3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 254.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfonyl-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 71174903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).