4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide

C15H11FO3S — CID 59060171

IUPAC4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2c(OCc3ccc(F)cc3)cccc21
InChIInChI=1S/C15H11FO3S/c16-12-6-4-11(5-7-12)10-19-14-2-1-3-15-13(14)8-9-20(15,17)18/h1-9H,10H2
InChIKeyHPAFIFOAXIYVCY-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.16
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide

4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide (PubChem CID 59060171) has the molecular formula C15H11FO3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide
PubChem CID59060171
Molecular FormulaC15H11FO3S
Molecular Weight290.31 g/mol
Exact Mass290.04
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2c(OCc3ccc(F)cc3)cccc21
InChIInChI=1S/C15H11FO3S/c16-12-6-4-11(5-7-12)10-19-14-2-1-3-15-13(14)8-9-20(15,17)18/h1-9H,10H2
InChIKeyHPAFIFOAXIYVCY-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide (CID 59060171) is 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide is O=S1(=O)C=Cc2c(OCc3ccc(F)cc3)cccc21.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide?
The InChIKey is HPAFIFOAXIYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3S/c16-12-6-4-11(5-7-12)10-19-14-2-1-3-15-13(14)8-9-20(15,17)18/h1-9H,10H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide?
4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide has a molecular weight of 290.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 59060171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).