6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide

C16H13FO3S — CID 117179574

IUPAC6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESCc1ccccc1OCC1=Cc2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C16H13FO3S/c1-11-4-2-3-5-15(11)20-10-14-8-12-6-7-13(17)9-16(12)21(14,18)19/h2-9H,10H2,1H3
InChIKeyJJOQCZCKGALHAD-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.34
Rot. Bonds3

About 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide

6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide (PubChem CID 117179574) has the molecular formula C16H13FO3S and a molecular weight of 304.34 g/mol. Its IUPAC name is 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
PubChem CID117179574
Molecular FormulaC16H13FO3S
Molecular Weight304.34 g/mol
Exact Mass304.06
IUPAC Name6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESCc1ccccc1OCC1=Cc2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C16H13FO3S/c1-11-4-2-3-5-15(11)20-10-14-8-12-6-7-13(17)9-16(12)21(14,18)19/h2-9H,10H2,1H3
InChIKeyJJOQCZCKGALHAD-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117179625
2-[(3-fluorophenoxy)methyl]-7-methyl-1-benzothiophene 1,1-dioxide
CID 117186407
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
CID 117172586
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
7-methyl-3-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117186125
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117181295
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-[(4-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117172610

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide (CID 117179574) is 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide is Cc1ccccc1OCC1=Cc2ccc(F)cc2S1(=O)=O.
What is the InChIKey of 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is JJOQCZCKGALHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3S/c1-11-4-2-3-5-15(11)20-10-14-8-12-6-7-13(17)9-16(12)21(14,18)19/h2-9H,10H2,1H3.
What are the key properties of 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide?
6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide has a molecular weight of 304.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117179574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).