(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol

C14H11Cl2FOS — CID 63813226

IUPAC(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2FOS/c1-8(18)14-11(17)3-2-4-12(14)19-13-7-9(15)5-6-10(13)16/h2-8,18H,1H3/t8-/m1/s1
InChIKeyJLHZTBOGFOIPCM-MRVPVSSYSA-N
MW317.21 g/mol
LogP5.34
Rot. Bonds3

About (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol

(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol (PubChem CID 63813226) has the molecular formula C14H11Cl2FOS and a molecular weight of 317.21 g/mol. Its IUPAC name is (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
PubChem CID63813226
Molecular FormulaC14H11Cl2FOS
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2FOS/c1-8(18)14-11(17)3-2-4-12(14)19-13-7-9(15)5-6-10(13)16/h2-8,18H,1H3/t8-/m1/s1
InChIKeyJLHZTBOGFOIPCM-MRVPVSSYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.21
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
CID 54920833
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
1-(2,6-difluorophenyl)ethanol
CID 5012075
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol (CID 63813226) is (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The InChIKey is JLHZTBOGFOIPCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11Cl2FOS/c1-8(18)14-11(17)3-2-4-12(14)19-13-7-9(15)5-6-10(13)16/h2-8,18H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol has a molecular weight of 317.21 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol is sourced from PubChem (CID 63813226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).