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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Related Compounds

m-Cresol Purple
CID 73030
phenyl (1S,2S,4S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
CID 70692196
2-(4-Methanesulfonyl-benzyl)-naphthalen-1-ol
CID 15617894
4,4'-Thiene-2,5-Diylbis(3-Methylphenol)
CID 71296056
5-Hydroxy-1-naphthyl 4-methylbenzenesulfonate
CID 7314234
3-[(E)-3-(4-hydroxyphenyl)-14-pentylsulfonyltetradec-3-en-4-yl]phenol
CID 11226063
3-[(E)-4-(4-hydroxyphenyl)-14-pentylsulfonyltetradec-3-en-3-yl]phenol
CID 11409708
(2-fluorophenyl) (1S,2S,4S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
CID 70685893
(4-fluorophenyl) (1S,2S,4S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
CID 70685895
(4-hydroxyphenyl) (1S,2S,4S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
CID 70696352
4-[5-(4-Hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol
CID 71624797
2-Naphthyl p-Toluenesulfonate
CID 221859

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).