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

C14H12ClFOS — CID 63814873

IUPAC1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccc(Sc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C14H12ClFOS/c1-9(17)10-2-7-14(13(15)8-10)18-12-5-3-11(16)4-6-12/h2-9,17H,1H3
InChIKeyGXBBNERZOHPBEB-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.68
Rot. Bonds3

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

1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol (PubChem CID 63814873) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol
PubChem CID63814873
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccc(Sc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C14H12ClFOS/c1-9(17)10-2-7-14(13(15)8-10)18-12-5-3-11(16)4-6-12/h2-9,17H,1H3
InChIKeyGXBBNERZOHPBEB-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol (CID 63814873) is 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol is CC(O)c1ccc(Sc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol?
The InChIKey is GXBBNERZOHPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-9(17)10-2-7-14(13(15)8-10)18-12-5-3-11(16)4-6-12/h2-9,17H,1H3.
What are the key properties of 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol?
1-[3-chloro-4-(4-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 1-[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63814873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).