(1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol

C14H12ClFOS — CID 55238137

IUPAC(1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H12ClFOS/c1-9(17)10-6-7-13(11(15)8-10)18-14-5-3-2-4-12(14)16/h2-9,17H,1H3/t9-/m0/s1
InChIKeyBZLWDHPLXWJQPC-VIFPVBQESA-N
MW282.77 g/mol
LogP4.68
Rot. Bonds3

About (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol

(1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol (PubChem CID 55238137) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol
PubChem CID55238137
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name(1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H12ClFOS/c1-9(17)10-6-7-13(11(15)8-10)18-14-5-3-2-4-12(14)16/h2-9,17H,1H3/t9-/m0/s1
InChIKeyBZLWDHPLXWJQPC-VIFPVBQESA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol (CID 55238137) is (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol is C[C@H](O)c1ccc(Sc2ccccc2F)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol?
The InChIKey is BZLWDHPLXWJQPC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-9(17)10-6-7-13(11(15)8-10)18-14-5-3-2-4-12(14)16/h2-9,17H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol?
(1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol has a molecular weight of 282.77 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55238137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).