(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol

C17H20O4S — CID 1474364

IUPAC(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
SMILESCOc1ccc(CS(=O)(=O)C[C@@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O4S/c1-17(18,15-6-4-3-5-7-15)13-22(19,20)12-14-8-10-16(21-2)11-9-14/h3-11,18H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyRWPJPGBTHGSPQM-QGZVFWFLSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds6

About (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol

(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol (PubChem CID 1474364) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
PubChem CID1474364
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
SMILESCOc1ccc(CS(=O)(=O)C[C@@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O4S/c1-17(18,15-6-4-3-5-7-15)13-22(19,20)12-14-8-10-16(21-2)11-9-14/h3-11,18H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyRWPJPGBTHGSPQM-QGZVFWFLSA-N
XLogP2.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 3704416
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
1-(benzenesulfonylsulfonylmethyl)-4-methoxybenzene
CID 67568906
2-[5,6-dichloro-1-(1-iodoethyl)benzimidazol-2-yl]-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 69477796
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol
CID 11135454
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-(dimethoxyphosphorylmethylsulfonylmethyl)-4-methoxybenzene
CID 21323907

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol (CID 1474364) is (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol is COc1ccc(CS(=O)(=O)C[C@@](C)(O)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The InChIKey is RWPJPGBTHGSPQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20O4S/c1-17(18,15-6-4-3-5-7-15)13-22(19,20)12-14-8-10-16(21-2)11-9-14/h3-11,18H,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol?
(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol has a molecular weight of 320.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol is sourced from PubChem (CID 1474364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).