4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

C17H17FO4S — CID 24754396

IUPAC4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2OC)cc1
InChIInChI=1S/C17H17FO4S/c1-21-16-7-3-13(4-8-16)12-23(19,20)10-9-14-5-6-15(18)11-17(14)22-2/h3-11H,12H2,1-2H3/b10-9+
InChIKeyHYCJMAZFIHZBEN-MDZDMXLPSA-N
MW336.38 g/mol
LogP3.43
Rot. Bonds6

About 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (PubChem CID 24754396) has the molecular formula C17H17FO4S and a molecular weight of 336.38 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
PubChem CID24754396
Molecular FormulaC17H17FO4S
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2OC)cc1
InChIInChI=1S/C17H17FO4S/c1-21-16-7-3-13(4-8-16)12-23(19,20)10-9-14-5-6-15(18)11-17(14)22-2/h3-11H,12H2,1-2H3/b10-9+
InChIKeyHYCJMAZFIHZBEN-MDZDMXLPSA-N
XLogP3.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The IUPAC name of 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene (CID 24754396) is 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The canonical SMILES for 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is COc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2OC)cc1.
What is the InChIKey of 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
The InChIKey is HYCJMAZFIHZBEN-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17FO4S/c1-21-16-7-3-13(4-8-16)12-23(19,20)10-9-14-5-6-15(18)11-17(14)22-2/h3-11H,12H2,1-2H3/b10-9+.
What are the key properties of 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene?
4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene has a molecular weight of 336.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 24754396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).