3-(4-methylsulfonylphenyl)-4-phenylphenol

C19H16O3S — CID 15871996

IUPAC3-(4-methylsulfonylphenyl)-4-phenylphenol
SMILESCS(=O)(=O)c1ccc(-c2cc(O)ccc2-c2ccccc2)cc1
InChIInChI=1S/C19H16O3S/c1-23(21,22)17-10-7-15(8-11-17)19-13-16(20)9-12-18(19)14-5-3-2-4-6-14/h2-13,20H,1H3
InChIKeyBFMAJHDDOAGZPM-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.13
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-4-phenylphenol

3-(4-methylsulfonylphenyl)-4-phenylphenol (PubChem CID 15871996) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-4-phenylphenol.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-4-phenylphenol
PubChem CID15871996
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name3-(4-methylsulfonylphenyl)-4-phenylphenol
SMILESCS(=O)(=O)c1ccc(-c2cc(O)ccc2-c2ccccc2)cc1
InChIInChI=1S/C19H16O3S/c1-23(21,22)17-10-7-15(8-11-17)19-13-16(20)9-12-18(19)14-5-3-2-4-6-14/h2-13,20H,1H3
InChIKeyBFMAJHDDOAGZPM-UHFFFAOYSA-N
XLogP4.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenylphenol?
The IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenylphenol (CID 15871996) is 3-(4-methylsulfonylphenyl)-4-phenylphenol.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-4-phenylphenol?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-4-phenylphenol is CS(=O)(=O)c1ccc(-c2cc(O)ccc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-4-phenylphenol?
The InChIKey is BFMAJHDDOAGZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-23(21,22)17-10-7-15(8-11-17)19-13-16(20)9-12-18(19)14-5-3-2-4-6-14/h2-13,20H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-4-phenylphenol?
3-(4-methylsulfonylphenyl)-4-phenylphenol has a molecular weight of 324.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-4-phenylphenol is sourced from PubChem (CID 15871996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).