3-(4-ethylsulfonylphenyl)-4-phenylphenol

C20H18O3S — CID 67689499

IUPAC3-(4-ethylsulfonylphenyl)-4-phenylphenol
SMILESCCS(=O)(=O)c1ccc(-c2cc(O)ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H18O3S/c1-2-24(22,23)18-11-8-16(9-12-18)20-14-17(21)10-13-19(20)15-6-4-3-5-7-15/h3-14,21H,2H2,1H3
InChIKeyLYMORJUUJSFCSG-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.52
Rot. Bonds4

About 3-(4-ethylsulfonylphenyl)-4-phenylphenol

3-(4-ethylsulfonylphenyl)-4-phenylphenol (PubChem CID 67689499) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-(4-ethylsulfonylphenyl)-4-phenylphenol.

Molecular Properties

Compound Name3-(4-ethylsulfonylphenyl)-4-phenylphenol
PubChem CID67689499
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name3-(4-ethylsulfonylphenyl)-4-phenylphenol
SMILESCCS(=O)(=O)c1ccc(-c2cc(O)ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H18O3S/c1-2-24(22,23)18-11-8-16(9-12-18)20-14-17(21)10-13-19(20)15-6-4-3-5-7-15/h3-14,21H,2H2,1H3
InChIKeyLYMORJUUJSFCSG-UHFFFAOYSA-N
XLogP4.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylphenyl)-4-phenylphenol?
The IUPAC name of 3-(4-ethylsulfonylphenyl)-4-phenylphenol (CID 67689499) is 3-(4-ethylsulfonylphenyl)-4-phenylphenol.
What is the SMILES notation for 3-(4-ethylsulfonylphenyl)-4-phenylphenol?
The canonical SMILES for 3-(4-ethylsulfonylphenyl)-4-phenylphenol is CCS(=O)(=O)c1ccc(-c2cc(O)ccc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylsulfonylphenyl)-4-phenylphenol?
The InChIKey is LYMORJUUJSFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-2-24(22,23)18-11-8-16(9-12-18)20-14-17(21)10-13-19(20)15-6-4-3-5-7-15/h3-14,21H,2H2,1H3.
What are the key properties of 3-(4-ethylsulfonylphenyl)-4-phenylphenol?
3-(4-ethylsulfonylphenyl)-4-phenylphenol has a molecular weight of 338.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylphenyl)-4-phenylphenol is sourced from PubChem (CID 67689499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).