2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol

C11H15FO4S — CID 52732373

IUPAC2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol
SMILESO=S(=O)(CCOCCO)Cc1ccc(F)cc1
InChIInChI=1S/C11H15FO4S/c12-11-3-1-10(2-4-11)9-17(14,15)8-7-16-6-5-13/h1-4,13H,5-9H2
InChIKeyPRXOGPGGPOISOF-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.75
Rot. Bonds7

About 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol

2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol (PubChem CID 52732373) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol
PubChem CID52732373
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol
SMILESO=S(=O)(CCOCCO)Cc1ccc(F)cc1
InChIInChI=1S/C11H15FO4S/c12-11-3-1-10(2-4-11)9-17(14,15)8-7-16-6-5-13/h1-4,13H,5-9H2
InChIKeyPRXOGPGGPOISOF-UHFFFAOYSA-N
XLogP0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Benzylsulfonyl)-3-isopropoxy-2-propanol
CID 2842815
1-(Benzylsulfinyl)-3-ethoxy-2-propanol
CID 3670604
[(4-Fluorobenzyl)sulfonyl]acetic acid
CID 11447598
1-(Benzylsulfinyl)-3-isopropoxy-2-propanol
CID 2843110
2-(1-Phenylpropylsulfonyl)ethanol
CID 71857010
2-[1-(2,4-Difluorophenyl)propylsulfonyl]ethanol
CID 71857019
2-[1-(4-Fluorophenyl)propylsulfonyl]ethanol
CID 71857027
2-[(4-Fluorobenzyl)thio]ethanol
CID 335545
2-[(3-Fluorobenzyl)thio]ethanol
CID 12779321
1-(Benzylsulfinyl)-3-methoxy-2-propanol
CID 2842591
1-Benzylsulfonylpropan-2-ol
CID 10867644
2-(Phenylmethanesulfonyl)ethan-1-ol
CID 13568198

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol (CID 52732373) is 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol is O=S(=O)(CCOCCO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol?
The InChIKey is PRXOGPGGPOISOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c12-11-3-1-10(2-4-11)9-17(14,15)8-7-16-6-5-13/h1-4,13H,5-9H2.
What are the key properties of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol?
2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol has a molecular weight of 262.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methylsulfonyl]ethoxy]ethanol is sourced from PubChem (CID 52732373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).