2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol

C18H14FNO4S — CID 166630901

IUPAC2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol
SMILESCS(=O)(=O)c1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C18H14FNO4S/c1-25(22,23)14-5-2-4-12(10-14)16-6-3-7-18(20-16)24-13-8-9-15(19)17(21)11-13/h2-11,21H,1H3
InChIKeyKJTZVMQPCVTHKZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.79
Rot. Bonds4

About 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol

2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166630901) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166630901
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol
SMILESCS(=O)(=O)c1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C18H14FNO4S/c1-25(22,23)14-5-2-4-12(10-14)16-6-3-7-18(20-16)24-13-8-9-15(19)17(21)11-13/h2-11,21H,1H3
InChIKeyKJTZVMQPCVTHKZ-UHFFFAOYSA-N
XLogP3.79
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol (CID 166630901) is 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol is CS(=O)(=O)c1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1.
What is the InChIKey of 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is KJTZVMQPCVTHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c1-25(22,23)14-5-2-4-12(10-14)16-6-3-7-18(20-16)24-13-8-9-15(19)17(21)11-13/h2-11,21H,1H3.
What are the key properties of 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 359.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-(3-methylsulfonylphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166630901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).