1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol

C15H14F2O4S — CID 109416332

IUPAC1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
SMILESCS(=O)(=O)c1cccc(OCC(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)12-4-2-3-11(8-12)21-9-15(18)13-7-10(16)5-6-14(13)17/h2-8,15,18H,9H2,1H3
InChIKeyRNZCOGVELYWVMC-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol

1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol (PubChem CID 109416332) has the molecular formula C15H14F2O4S and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
PubChem CID109416332
Molecular FormulaC15H14F2O4S
Molecular Weight328.34 g/mol
Exact Mass328.06
IUPAC Name1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
SMILESCS(=O)(=O)c1cccc(OCC(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)12-4-2-3-11(8-12)21-9-15(18)13-7-10(16)5-6-14(13)17/h2-8,15,18H,9H2,1H3
InChIKeyRNZCOGVELYWVMC-UHFFFAOYSA-N
XLogP2.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
CID 109415013
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
CID 109413353
2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
CID 63070637
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol (CID 109416332) is 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol is CS(=O)(=O)c1cccc(OCC(O)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
The InChIKey is RNZCOGVELYWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S/c1-22(19,20)12-4-2-3-11(8-12)21-9-15(18)13-7-10(16)5-6-14(13)17/h2-8,15,18H,9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol has a molecular weight of 328.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol is sourced from PubChem (CID 109416332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).