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

C16H11FO2S — CID 44542048

IUPAC3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccc(-c3cc(O)cc(F)c3)s2)cc1
InChIInChI=1S/C16H11FO2S/c17-12-7-11(8-14(19)9-12)16-6-5-15(20-16)10-1-3-13(18)4-2-10/h1-9,18-19H
InChIKeyOWTLTMXTNPNZPH-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.63
Rot. Bonds2

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

3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol (PubChem CID 44542048) has the molecular formula C16H11FO2S and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol
PubChem CID44542048
Molecular FormulaC16H11FO2S
Molecular Weight286.33 g/mol
Exact Mass286.05
IUPAC Name3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccc(-c3cc(O)cc(F)c3)s2)cc1
InChIInChI=1S/C16H11FO2S/c17-12-7-11(8-14(19)9-12)16-6-5-15(20-16)10-1-3-13(18)4-2-10/h1-9,18-19H
InChIKeyOWTLTMXTNPNZPH-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 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol?
The IUPAC name of 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol (CID 44542048) is 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol?
The canonical SMILES for 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol is Oc1ccc(-c2ccc(-c3cc(O)cc(F)c3)s2)cc1.
What is the InChIKey of 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol?
The InChIKey is OWTLTMXTNPNZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2S/c17-12-7-11(8-14(19)9-12)16-6-5-15(20-16)10-1-3-13(18)4-2-10/h1-9,18-19H.
What are the key properties of 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol?
3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-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 3-fluoro-5-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol is sourced from PubChem (CID 44542048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).