3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol

C15H11FO2S — CID 117181555

IUPAC3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
SMILESOc1cccc2c(COc3ccc(F)cc3)csc12
InChIInChI=1S/C15H11FO2S/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9,17H,8H2
InChIKeyQQORXHASXUSDDW-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.32
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol

3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol (PubChem CID 117181555) has the molecular formula C15H11FO2S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
PubChem CID117181555
Molecular FormulaC15H11FO2S
Molecular Weight274.32 g/mol
Exact Mass274.05
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
SMILESOc1cccc2c(COc3ccc(F)cc3)csc12
InChIInChI=1S/C15H11FO2S/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9,17H,8H2
InChIKeyQQORXHASXUSDDW-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-fluorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181553
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181536
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170932
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
CID 117181558
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
CID 117181525
3-[(2-fluorophenoxy)methyl]-1-benzothiophene-7-carboxylic acid
CID 117181633
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734
1-benzothiophene-3,7-diol
CID 91345161
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181176
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol (CID 117181555) is 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol is Oc1cccc2c(COc3ccc(F)cc3)csc12.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol?
The InChIKey is QQORXHASXUSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2S/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9,17H,8H2.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol?
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-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-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol is sourced from PubChem (CID 117181555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).