[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone

C20H16O4S — CID 514878

IUPAC[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O4S/c1-25(22,23)19-13-11-18(12-14-19)24-17-9-7-16(8-10-17)20(21)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyIVGZMLRAOPYXIF-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.11
Rot. Bonds5

About [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone

[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone (PubChem CID 514878) has the molecular formula C20H16O4S and a molecular weight of 352.41 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone
PubChem CID514878
Molecular FormulaC20H16O4S
Molecular Weight352.41 g/mol
Exact Mass352.08
IUPAC Name[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O4S/c1-25(22,23)19-13-11-18(12-14-19)24-17-9-7-16(8-10-17)20(21)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyIVGZMLRAOPYXIF-UHFFFAOYSA-N
XLogP4.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone (CID 514878) is [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone is CS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone?
The InChIKey is IVGZMLRAOPYXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4S/c1-25(22,23)19-13-11-18(12-14-19)24-17-9-7-16(8-10-17)20(21)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone?
[4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone has a molecular weight of 352.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 514878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).