2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol

C15H15FOS — CID 79206674

IUPAC2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2ccccc2F)cc1
InChIInChI=1S/C15H15FOS/c1-18-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15,17H,10H2,1H3
InChIKeyADXXVXAAENZICR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.82
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol

2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol (PubChem CID 79206674) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
PubChem CID79206674
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2ccccc2F)cc1
InChIInChI=1S/C15H15FOS/c1-18-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15,17H,10H2,1H3
InChIKeyADXXVXAAENZICR-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
CID 63425921
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 97416938
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol (CID 79206674) is 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(O)Cc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol?
The InChIKey is ADXXVXAAENZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-18-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol?
2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol has a molecular weight of 262.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 79206674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).