2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol

C15H14F2O4S — CID 109416073

IUPAC2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)COc2cccc(F)c2F)cc1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)11-7-5-10(6-8-11)13(18)9-21-14-4-2-3-12(16)15(14)17/h2-8,13,18H,9H2,1H3
InChIKeyNDDVKJFLZZEMQQ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol

2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 109416073) has the molecular formula C15H14F2O4S and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID109416073
Molecular FormulaC15H14F2O4S
Molecular Weight328.34 g/mol
Exact Mass328.06
IUPAC Name2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)COc2cccc(F)c2F)cc1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)11-7-5-10(6-8-11)13(18)9-21-14-4-2-3-12(16)15(14)17/h2-8,13,18H,9H2,1H3
InChIKeyNDDVKJFLZZEMQQ-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-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109415720
2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
CID 63037145
1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
CID 109416099
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114982296
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
CID 110924112
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol (CID 109416073) is 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)COc2cccc(F)c2F)cc1.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is NDDVKJFLZZEMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S/c1-22(19,20)11-7-5-10(6-8-11)13(18)9-21-14-4-2-3-12(16)15(14)17/h2-8,13,18H,9H2,1H3.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol?
2-(2,3-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-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 109416073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).