2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol

C14H13FO2S — CID 68557961

IUPAC2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol
SMILESCC(Sc1ccc(O)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H13FO2S/c1-9(10-2-7-14(17)13(15)8-10)18-12-5-3-11(16)4-6-12/h2-9,16-17H,1H3
InChIKeySNZSVYXXTBMSEB-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.09
Rot. Bonds3

About 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol

2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol (PubChem CID 68557961) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol
PubChem CID68557961
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol
SMILESCC(Sc1ccc(O)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H13FO2S/c1-9(10-2-7-14(17)13(15)8-10)18-12-5-3-11(16)4-6-12/h2-9,16-17H,1H3
InChIKeySNZSVYXXTBMSEB-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol?
The IUPAC name of 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol (CID 68557961) is 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol?
The canonical SMILES for 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol is CC(Sc1ccc(O)cc1)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol?
The InChIKey is SNZSVYXXTBMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-9(10-2-7-14(17)13(15)8-10)18-12-5-3-11(16)4-6-12/h2-9,16-17H,1H3.
What are the key properties of 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol?
2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol has a molecular weight of 264.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(4-hydroxyphenyl)sulfanylethyl]phenol is sourced from PubChem (CID 68557961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).