1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol

C15H14F2O4S — CID 109415459

IUPAC1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
SMILESCS(=O)(=O)c1ccc(OCC(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)12-5-3-11(4-6-12)21-9-15(18)13-7-2-10(16)8-14(13)17/h2-8,15,18H,9H2,1H3
InChIKeyFKQRTBSGZYLMBL-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol

1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol (PubChem CID 109415459) has the molecular formula C15H14F2O4S and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
PubChem CID109415459
Molecular FormulaC15H14F2O4S
Molecular Weight328.34 g/mol
Exact Mass328.06
IUPAC Name1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
SMILESCS(=O)(=O)c1ccc(OCC(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H14F2O4S/c1-22(19,20)12-5-3-11(4-6-12)21-9-15(18)13-7-2-10(16)8-14(13)17/h2-8,15,18H,9H2,1H3
InChIKeyFKQRTBSGZYLMBL-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

1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109415720
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
CID 84803337
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665
2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
CID 109413353
2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
[(2R)-2-hydroxy-3-(4-methylsulfonylphenoxy)propyl]azaniumylideneazanide
CID 140847451
(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol
CID 59667958
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-methylsulfonylbenzenesulfonamide
CID 56578774

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol (CID 109415459) is 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol is CS(=O)(=O)c1ccc(OCC(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol?
The InChIKey is FKQRTBSGZYLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S/c1-22(19,20)12-5-3-11(4-6-12)21-9-15(18)13-7-2-10(16)8-14(13)17/h2-8,15,18H,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol?
1-(2,4-difluorophenyl)-2-(4-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-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol is sourced from PubChem (CID 109415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).