2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol

C14H12ClFOS — CID 66148345

IUPAC2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESOC(CSc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12ClFOS/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8,14,17H,9H2
InChIKeyLCGCDRXDPUJOSI-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.30
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol

2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol (PubChem CID 66148345) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
PubChem CID66148345
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESOC(CSc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12ClFOS/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8,14,17H,9H2
InChIKeyLCGCDRXDPUJOSI-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-chlorophenyl)sulfanyl-3-ethyl-3-methoxypentan-2-ol
CID 116779702
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol (CID 66148345) is 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol is OC(CSc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol?
The InChIKey is LCGCDRXDPUJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8,14,17H,9H2.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol?
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol has a molecular weight of 282.77 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 66148345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).