1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol

C11H13F3O4S — CID 107508914

IUPAC1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
SMILESCOCC(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O4S/c1-18-6-9(15)7-19(16,17)10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3
InChIKeyCLSRWHIKLBOQNG-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.49
Rot. Bonds5

About 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol

1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol (PubChem CID 107508914) has the molecular formula C11H13F3O4S and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
PubChem CID107508914
Molecular FormulaC11H13F3O4S
Molecular Weight298.28 g/mol
Exact Mass298.05
IUPAC Name1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
SMILESCOCC(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O4S/c1-18-6-9(15)7-19(16,17)10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3
InChIKeyCLSRWHIKLBOQNG-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
CID 71977096
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 64646267
1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one
CID 1478659
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906345
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
3-[3-(trifluoromethyl)phenyl]sulfonylpropyl methanesulfonate
CID 162588700
3-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidine
CID 68523927
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
1-[3-(trifluoromethyl)phenyl]sulfonylpentan-2-one
CID 64643363
ethyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 43174233
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
The IUPAC name of 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol (CID 107508914) is 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol is COCC(O)CS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
The InChIKey is CLSRWHIKLBOQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O4S/c1-18-6-9(15)7-19(16,17)10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3.
What are the key properties of 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol has a molecular weight of 298.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol is sourced from PubChem (CID 107508914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).