2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol

C15H14F2O4S — CID 109415720

IUPAC2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)COc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)12-5-2-10(3-6-12)14(18)9-21-15-8-11(16)4-7-13(15)17/h2-8,14,18H,9H2,1H3
InChIKeyHTVDUUSOGPADKD-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol

2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 109415720) has the molecular formula C15H14F2O4S and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID109415720
Molecular FormulaC15H14F2O4S
Molecular Weight328.34 g/mol
Exact Mass328.06
IUPAC Name2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)COc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)12-5-2-10(3-6-12)14(18)9-21-15-8-11(16)4-7-13(15)17/h2-8,14,18H,9H2,1H3
InChIKeyHTVDUUSOGPADKD-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

2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
CID 109416099
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
CID 79746730
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 43197870
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol (CID 109415720) is 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)COc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is HTVDUUSOGPADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S/c1-22(19,20)12-5-2-10(3-6-12)14(18)9-21-15-8-11(16)4-7-13(15)17/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)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 2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 109415720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).