1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone

C15H14O4S — CID 514879

IUPAC1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14O4S/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-10H,1-2H3
InChIKeyCUDIIGGMJHXZLC-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.09
Rot. Bonds4

About 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone

1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone (PubChem CID 514879) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone
PubChem CID514879
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14O4S/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-10H,1-2H3
InChIKeyCUDIIGGMJHXZLC-UHFFFAOYSA-N
XLogP3.09
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone (CID 514879) is 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone?
The InChIKey is CUDIIGGMJHXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-10H,1-2H3.
What are the key properties of 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone?
1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone has a molecular weight of 290.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone is sourced from PubChem (CID 514879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).