[4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol

C13H9ClF2OS — CID 55239468

IUPAC[4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Sc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H9ClF2OS/c14-9-3-1-2-4-12(9)18-13-10(15)5-8(7-17)6-11(13)16/h1-6,17H,7H2
InChIKeyISSOQNJQWIYQHA-UHFFFAOYSA-N
MW286.73 g/mol
LogP4.26
Rot. Bonds3

About [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol

[4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol (PubChem CID 55239468) has the molecular formula C13H9ClF2OS and a molecular weight of 286.73 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol
PubChem CID55239468
Molecular FormulaC13H9ClF2OS
Molecular Weight286.73 g/mol
Exact Mass286.00
IUPAC Name[4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Sc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H9ClF2OS/c14-9-3-1-2-4-12(9)18-13-10(15)5-8(7-17)6-11(13)16/h1-6,17H,7H2
InChIKeyISSOQNJQWIYQHA-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol (CID 55239468) is [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol is OCc1cc(F)c(Sc2ccccc2Cl)c(F)c1.
What is the InChIKey of [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol?
The InChIKey is ISSOQNJQWIYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2OS/c14-9-3-1-2-4-12(9)18-13-10(15)5-8(7-17)6-11(13)16/h1-6,17H,7H2.
What are the key properties of [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol?
[4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol has a molecular weight of 286.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfanyl-3,5-difluorophenyl]methanol is sourced from PubChem (CID 55239468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).