2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol

C15H11FO2S — CID 117181525

IUPAC2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1csc2c(F)cccc12
InChIInChI=1S/C15H11FO2S/c16-12-5-3-4-11-10(9-19-15(11)12)8-18-14-7-2-1-6-13(14)17/h1-7,9,17H,8H2
InChIKeyLJSBBHLUZQZULF-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.32
Rot. Bonds3

About 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol

2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol (PubChem CID 117181525) has the molecular formula C15H11FO2S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
PubChem CID117181525
Molecular FormulaC15H11FO2S
Molecular Weight274.32 g/mol
Exact Mass274.05
IUPAC Name2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1csc2c(F)cccc12
InChIInChI=1S/C15H11FO2S/c16-12-5-3-4-11-10(9-19-15(11)12)8-18-14-7-2-1-6-13(14)17/h1-7,9,17H,8H2
InChIKeyLJSBBHLUZQZULF-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-[(2-fluorophenoxy)methyl]-1-benzothiophene-7-carboxylic acid
CID 117181633
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181555
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
CID 117181558
3-(ethoxymethyl)-7-fluoro-1-benzothiophene
CID 117181592
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181514
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
3-[(2-fluorophenoxy)methyl]-1-benzothiophen-5-amine
CID 117174712
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181553

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol?
The IUPAC name of 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol (CID 117181525) is 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol is Oc1ccccc1OCc1csc2c(F)cccc12.
What is the InChIKey of 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol?
The InChIKey is LJSBBHLUZQZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2S/c16-12-5-3-4-11-10(9-19-15(11)12)8-18-14-7-2-1-6-13(14)17/h1-7,9,17H,8H2.
What are the key properties of 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol?
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol 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 2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol is sourced from PubChem (CID 117181525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).