1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol

C16H17FO3S — CID 21496248

IUPAC1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol
SMILESO=S(CCO)CC(O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H17FO3S/c17-15-4-2-1-3-14(15)12-5-7-13(8-6-12)16(19)11-21(20)10-9-18/h1-8,16,18-19H,9-11H2
InChIKeyVXAYKOIKIOYHPG-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.27
Rot. Bonds6

About 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol

1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol (PubChem CID 21496248) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol
PubChem CID21496248
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol
SMILESO=S(CCO)CC(O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H17FO3S/c17-15-4-2-1-3-14(15)12-5-7-13(8-6-12)16(19)11-21(20)10-9-18/h1-8,16,18-19H,9-11H2
InChIKeyVXAYKOIKIOYHPG-UHFFFAOYSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol (CID 21496248) is 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol is O=S(CCO)CC(O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol?
The InChIKey is VXAYKOIKIOYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c17-15-4-2-1-3-14(15)12-5-7-13(8-6-12)16(19)11-21(20)10-9-18/h1-8,16,18-19H,9-11H2.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol?
1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol has a molecular weight of 308.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-2-(2-hydroxyethylsulfinyl)ethanol is sourced from PubChem (CID 21496248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).