3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol

C15H11FO2S — CID 117174734

IUPAC3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
SMILESOc1ccc2scc(COc3cccc(F)c3)c2c1
InChIInChI=1S/C15H11FO2S/c16-11-2-1-3-13(6-11)18-8-10-9-19-15-5-4-12(17)7-14(10)15/h1-7,9,17H,8H2
InChIKeyHGPFOGPVYHYQKZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.32
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol

3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol (PubChem CID 117174734) has the molecular formula C15H11FO2S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
PubChem CID117174734
Molecular FormulaC15H11FO2S
Molecular Weight274.32 g/mol
Exact Mass274.05
IUPAC Name3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
SMILESOc1ccc2scc(COc3cccc(F)c3)c2c1
InChIInChI=1S/C15H11FO2S/c16-11-2-1-3-13(6-11)18-8-10-9-19-15-5-4-12(17)7-14(10)15/h1-7,9,17H,8H2
InChIKeyHGPFOGPVYHYQKZ-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine
CID 117177990
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170908
5-fluoro-3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117174725
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
4-[(3-fluorophenoxy)methyl]quinoline
CID 79240471
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181555
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170932
3-[(3-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117177878
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol (CID 117174734) is 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol is Oc1ccc2scc(COc3cccc(F)c3)c2c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol?
The InChIKey is HGPFOGPVYHYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2S/c16-11-2-1-3-13(6-11)18-8-10-9-19-15-5-4-12(17)7-14(10)15/h1-7,9,17H,8H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol?
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol has a molecular weight of 274.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol is sourced from PubChem (CID 117174734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).