2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol

C15H14BrFOS — CID 107128535

IUPAC2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H14BrFOS/c1-10-5-6-11(7-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8,15,18H,9H2,1H3
InChIKeyNPOUHYNYMZNBFZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.72
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol

2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 107128535) has the molecular formula C15H14BrFOS and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
PubChem CID107128535
Molecular FormulaC15H14BrFOS
Molecular Weight341.25 g/mol
Exact Mass339.99
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H14BrFOS/c1-10-5-6-11(7-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8,15,18H,9H2,1H3
InChIKeyNPOUHYNYMZNBFZ-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
CID 66161169
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
CID 66159989
2-(3-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 66158616
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol (CID 107128535) is 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol is Cc1ccc(C(O)CSc2cccc(Br)c2)cc1F.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is NPOUHYNYMZNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFOS/c1-10-5-6-11(7-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8,15,18H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol?
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 341.25 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 107128535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).