2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol

C20H16ClFOS — CID 58192624

IUPAC2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol
SMILESOc1c(F)cccc1CCc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFOS/c21-16-10-12-17(13-11-16)24-19-7-2-1-4-14(19)8-9-15-5-3-6-18(22)20(15)23/h1-7,10-13,23H,8-9H2
InChIKeyVEKMRLUTRFXWFG-UHFFFAOYSA-N
MW358.87 g/mol
LogP6.12
Rot. Bonds5

About 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol

2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol (PubChem CID 58192624) has the molecular formula C20H16ClFOS and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol
PubChem CID58192624
Molecular FormulaC20H16ClFOS
Molecular Weight358.87 g/mol
Exact Mass358.06
IUPAC Name2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol
SMILESOc1c(F)cccc1CCc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFOS/c21-16-10-12-17(13-11-16)24-19-7-2-1-4-14(19)8-9-15-5-3-6-18(22)20(15)23/h1-7,10-13,23H,8-9H2
InChIKeyVEKMRLUTRFXWFG-UHFFFAOYSA-N
XLogP6.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol (CID 58192624) is 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol is Oc1c(F)cccc1CCc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol?
The InChIKey is VEKMRLUTRFXWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFOS/c21-16-10-12-17(13-11-16)24-19-7-2-1-4-14(19)8-9-15-5-3-6-18(22)20(15)23/h1-7,10-13,23H,8-9H2.
What are the key properties of 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol?
2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol has a molecular weight of 358.87 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-fluorophenol is sourced from PubChem (CID 58192624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).