2-(4-methylsulfonylphenyl)-2-phenylethanol

C15H16O3S — CID 67638441

IUPAC2-(4-methylsulfonylphenyl)-2-phenylethanol
SMILESCS(=O)(=O)c1ccc(C(CO)c2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-19(17,18)14-9-7-13(8-10-14)15(11-16)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3
InChIKeyAAODVAFTNHPELZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.21
Rot. Bonds4

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

2-(4-methylsulfonylphenyl)-2-phenylethanol (PubChem CID 67638441) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-2-phenylethanol.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-2-phenylethanol
PubChem CID67638441
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name2-(4-methylsulfonylphenyl)-2-phenylethanol
SMILESCS(=O)(=O)c1ccc(C(CO)c2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-19(17,18)14-9-7-13(8-10-14)15(11-16)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3
InChIKeyAAODVAFTNHPELZ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
[(4-methylsulfonylphenyl)-phenylmethyl]hydrazine
CID 105282883
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
2-bromo-2-(4-methylsulfonylphenyl)-1-phenylethanone
CID 15315212
1-[bromo-(4-methylsulfonylphenyl)methyl]-4-phenylbenzene
CID 22767119
4-methylsulfonylbenzoic acid;1H-pyrrole
CID 175552248

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-2-phenylethanol?
The IUPAC name of 2-(4-methylsulfonylphenyl)-2-phenylethanol (CID 67638441) is 2-(4-methylsulfonylphenyl)-2-phenylethanol.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-2-phenylethanol?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-2-phenylethanol is CS(=O)(=O)c1ccc(C(CO)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-2-phenylethanol?
The InChIKey is AAODVAFTNHPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-19(17,18)14-9-7-13(8-10-14)15(11-16)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-2-phenylethanol?
2-(4-methylsulfonylphenyl)-2-phenylethanol has a molecular weight of 276.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-2-phenylethanol is sourced from PubChem (CID 67638441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).