[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol

C11H13F3O4S — CID 63320226

IUPAC[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESCS(=O)(=O)CCOc1ccc(CO)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O4S/c1-19(16,17)5-4-18-10-3-2-8(7-15)6-9(10)11(12,13)14/h2-3,6,15H,4-5,7H2,1H3
InChIKeyRPSGIEWXXGHALA-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.62
Rot. Bonds5

About [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol

[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 63320226) has the molecular formula C11H13F3O4S and a molecular weight of 298.28 g/mol. Its IUPAC name is [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
PubChem CID63320226
Molecular FormulaC11H13F3O4S
Molecular Weight298.28 g/mol
Exact Mass298.05
IUPAC Name[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESCS(=O)(=O)CCOc1ccc(CO)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O4S/c1-19(16,17)5-4-18-10-3-2-8(7-15)6-9(10)11(12,13)14/h2-3,6,15H,4-5,7H2,1H3
InChIKeyRPSGIEWXXGHALA-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
1-[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320553
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide
CID 171484135
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
CID 55204148
4-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467864
[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol
CID 107690715
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
[4-(hydroxymethyl)-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533131
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol (CID 63320226) is [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol is CS(=O)(=O)CCOc1ccc(CO)cc1C(F)(F)F.
What is the InChIKey of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is RPSGIEWXXGHALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O4S/c1-19(16,17)5-4-18-10-3-2-8(7-15)6-9(10)11(12,13)14/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol?
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 298.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63320226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).