2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene

C20H17FO3S — CID 10546170

IUPAC2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
SMILESCOc1ccc(-c2ccccc2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C20H17FO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
InChIKeyODBSRLCISKGYTE-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.57
Rot. Bonds4

About 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene

2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene (PubChem CID 10546170) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
PubChem CID10546170
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
SMILESCOc1ccc(-c2ccccc2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C20H17FO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
InChIKeyODBSRLCISKGYTE-UHFFFAOYSA-N
XLogP4.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene (CID 10546170) is 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene is COc1ccc(-c2ccccc2-c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
The InChIKey is ODBSRLCISKGYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene?
2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene has a molecular weight of 356.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene is sourced from PubChem (CID 10546170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).