1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol

C14H12ClFOS — CID 55239481

IUPAC1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1Sc1cccc(Cl)c1
InChIInChI=1S/C14H12ClFOS/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9,17H,1H3
InChIKeyYZMCJVKEBUVCLX-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.68
Rot. Bonds3

About 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol

1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol (PubChem CID 55239481) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
PubChem CID55239481
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1Sc1cccc(Cl)c1
InChIInChI=1S/C14H12ClFOS/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9,17H,1H3
InChIKeyYZMCJVKEBUVCLX-UHFFFAOYSA-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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Related Compounds

(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63813226
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
CID 63835061
1-(2,6-difluorophenyl)ethanol
CID 5012075
2-(3-chlorophenyl)sulfanylbenzenethiol
CID 57165343
1-(3-chlorophenyl)sulfanyl-3-fluoro-2-nitrobenzene
CID 62689653
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol (CID 55239481) is 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol is CC(O)c1c(F)cccc1Sc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The InChIKey is YZMCJVKEBUVCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9,17H,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol?
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]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 1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol is sourced from PubChem (CID 55239481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).