2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol

C14H9FO2S — CID 11777375

IUPAC2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccc(O)c(F)c3)sc2c1
InChIInChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H
InChIKeyREONGODOQFAVDH-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.12
Rot. Bonds1

About 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol

2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol (PubChem CID 11777375) has the molecular formula C14H9FO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol
PubChem CID11777375
Molecular FormulaC14H9FO2S
Molecular Weight260.29 g/mol
Exact Mass260.03
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccc(O)c(F)c3)sc2c1
InChIInChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H
InChIKeyREONGODOQFAVDH-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol (CID 11777375) is 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol is Oc1ccc2cc(-c3ccc(O)c(F)c3)sc2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol?
The InChIKey is REONGODOQFAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol?
2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol has a molecular weight of 260.29 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 11777375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).