1-(4-methylsulfonylphenyl)-2-phenylethanol

C15H16O3S — CID 19073233

IUPAC1-(4-methylsulfonylphenyl)-2-phenylethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cc2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-19(17,18)14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3
InChIKeyVJOXLPSYXBSQLC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.37
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)-2-phenylethanol

1-(4-methylsulfonylphenyl)-2-phenylethanol (PubChem CID 19073233) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-phenylethanol
PubChem CID19073233
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-(4-methylsulfonylphenyl)-2-phenylethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cc2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-19(17,18)14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3
InChIKeyVJOXLPSYXBSQLC-UHFFFAOYSA-N
XLogP2.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114980373
(1R)-1,2-diphenylethanol
CID 1379022
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114982296
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-phenylethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-phenylethanol (CID 19073233) is 1-(4-methylsulfonylphenyl)-2-phenylethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-phenylethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-phenylethanol is CS(=O)(=O)c1ccc(C(O)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-phenylethanol?
The InChIKey is VJOXLPSYXBSQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-19(17,18)14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-phenylethanol?
1-(4-methylsulfonylphenyl)-2-phenylethanol has a molecular weight of 276.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-phenylethanol is sourced from PubChem (CID 19073233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).