(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol

C15H16O3S — CID 102034256

IUPAC(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol
SMILESCc1ccc(S(=O)(=O)[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-/m1/s1
InChIKeyLDZDIUKGDKEFLP-OAHLLOKOSA-N
MW276.36 g/mol
LogP2.50
Rot. Bonds4

About (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol

(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol (PubChem CID 102034256) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol
PubChem CID102034256
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol
SMILESCc1ccc(S(=O)(=O)[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-/m1/s1
InChIKeyLDZDIUKGDKEFLP-OAHLLOKOSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
Phenethyl tosylate
CID 20522
3-(4-Methanesulfonyl-phenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-enol
CID 18969768
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol?
The IUPAC name of (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol (CID 102034256) is (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol.
What is the SMILES notation for (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol?
The canonical SMILES for (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol is Cc1ccc(S(=O)(=O)[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol?
The InChIKey is LDZDIUKGDKEFLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16O3S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol?
(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol has a molecular weight of 276.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol is sourced from PubChem (CID 102034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).