1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol

C15H15FO2S — CID 21496293

IUPAC1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol
SMILESCS(=O)C(C)(O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO2S/c1-15(17,19(2)18)13-7-3-11(4-8-13)12-5-9-14(16)10-6-12/h3-10,17H,1-2H3
InChIKeyFJKFJOREYUCRFJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.04
Rot. Bonds3

About 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol

1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol (PubChem CID 21496293) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol
PubChem CID21496293
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol
SMILESCS(=O)C(C)(O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO2S/c1-15(17,19(2)18)13-7-3-11(4-8-13)12-5-9-14(16)10-6-12/h3-10,17H,1-2H3
InChIKeyFJKFJOREYUCRFJ-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol (CID 21496293) is 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol is CS(=O)C(C)(O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol?
The InChIKey is FJKFJOREYUCRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-15(17,19(2)18)13-7-3-11(4-8-13)12-5-9-14(16)10-6-12/h3-10,17H,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol?
1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol has a molecular weight of 278.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]-1-methylsulfinylethanol is sourced from PubChem (CID 21496293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).