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

C14H13FO2S — CID 68557968

IUPAC2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol
SMILESOc1ccc(SCCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H13FO2S/c15-13-9-10(1-6-14(13)17)7-8-18-12-4-2-11(16)3-5-12/h1-6,9,16-17H,7-8H2
InChIKeyWDZYSHCUNZJURC-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.57
Rot. Bonds4

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

2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol (PubChem CID 68557968) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol
PubChem CID68557968
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol
SMILESOc1ccc(SCCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H13FO2S/c15-13-9-10(1-6-14(13)17)7-8-18-12-4-2-11(16)3-5-12/h1-6,9,16-17H,7-8H2
InChIKeyWDZYSHCUNZJURC-UHFFFAOYSA-N
XLogP3.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol?
The IUPAC name of 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol (CID 68557968) is 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol?
The canonical SMILES for 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol is Oc1ccc(SCCc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol?
The InChIKey is WDZYSHCUNZJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-13-9-10(1-6-14(13)17)7-8-18-12-4-2-11(16)3-5-12/h1-6,9,16-17H,7-8H2.
What are the key properties of 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol?
2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol has a molecular weight of 264.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-hydroxyphenyl)sulfanylethyl]phenol is sourced from PubChem (CID 68557968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).