1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol

C15H15FOS — CID 65141877

IUPAC1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
SMILESCc1ccc(F)c(C(O)CSc2ccccc2)c1
InChIInChI=1S/C15H15FOS/c1-11-7-8-14(16)13(9-11)15(17)10-18-12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3
InChIKeyVZYIRQLQIXWSRR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.96
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol

1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol (PubChem CID 65141877) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
PubChem CID65141877
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
SMILESCc1ccc(F)c(C(O)CSc2ccccc2)c1
InChIInChI=1S/C15H15FOS/c1-11-7-8-14(16)13(9-11)15(17)10-18-12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3
InChIKeyVZYIRQLQIXWSRR-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
CID 79742279
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol
CID 65129595
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66052290
N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933371
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
CID 101079364

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol (CID 65141877) is 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol is Cc1ccc(F)c(C(O)CSc2ccccc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol?
The InChIKey is VZYIRQLQIXWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-11-7-8-14(16)13(9-11)15(17)10-18-12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol?
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol has a molecular weight of 262.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 65141877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).