1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol

C15H14BrFOS — CID 65141961

IUPAC1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFOS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13,18H,8,10H2
InChIKeyZPOPGJSZDNVHMG-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol

1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol (PubChem CID 65141961) has the molecular formula C15H14BrFOS and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol
PubChem CID65141961
Molecular FormulaC15H14BrFOS
Molecular Weight341.25 g/mol
Exact Mass339.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFOS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13,18H,8,10H2
InChIKeyZPOPGJSZDNVHMG-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol (CID 65141961) is 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol is OC(CSc1ccccc1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is ZPOPGJSZDNVHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFOS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13,18H,8,10H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 341.25 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65141961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).