2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol

C16H11FO2S — CID 44543255

IUPAC2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccc(O)c(F)c3)cs2)c1
InChIInChI=1S/C16H11FO2S/c17-14-7-10(4-5-15(14)19)12-8-16(20-9-12)11-2-1-3-13(18)6-11/h1-9,18-19H
InChIKeyMOBQDOLSPUFHFF-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.63
Rot. Bonds2

About 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol

2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol (PubChem CID 44543255) has the molecular formula C16H11FO2S and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol
PubChem CID44543255
Molecular FormulaC16H11FO2S
Molecular Weight286.33 g/mol
Exact Mass286.05
IUPAC Name2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccc(O)c(F)c3)cs2)c1
InChIInChI=1S/C16H11FO2S/c17-14-7-10(4-5-15(14)19)12-8-16(20-9-12)11-2-1-3-13(18)6-11/h1-9,18-19H
InChIKeyMOBQDOLSPUFHFF-UHFFFAOYSA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol (CID 44543255) is 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol is Oc1cccc(-c2cc(-c3ccc(O)c(F)c3)cs2)c1.
What is the InChIKey of 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol?
The InChIKey is MOBQDOLSPUFHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2S/c17-14-7-10(4-5-15(14)19)12-8-16(20-9-12)11-2-1-3-13(18)6-11/h1-9,18-19H.
What are the key properties of 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol?
2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol has a molecular weight of 286.33 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(3-hydroxyphenyl)thiophen-3-yl]phenol is sourced from PubChem (CID 44543255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).