1-methylsulfinyl-2-phenylpropan-2-ol

C10H14O2S — CID 15013398

IUPAC1-methylsulfinyl-2-phenylpropan-2-ol
SMILESCS(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C10H14O2S/c1-10(11,8-13(2)12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyFJYYGAJZOXSIFB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds3

About 1-methylsulfinyl-2-phenylpropan-2-ol

1-methylsulfinyl-2-phenylpropan-2-ol (PubChem CID 15013398) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methylsulfinyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-methylsulfinyl-2-phenylpropan-2-ol
PubChem CID15013398
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-methylsulfinyl-2-phenylpropan-2-ol
SMILESCS(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C10H14O2S/c1-10(11,8-13(2)12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyFJYYGAJZOXSIFB-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-[(R)-methylsulfinyl]propan-2-ylbenzene
CID 90451412
2-hydroxy-1-oxo-2,2-diphenylethanesulfinic acid
CID 174816975
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2R)-1-nitro-2-phenylpropan-2-ol
CID 101414779
6-phenylheptane-1,6-diol
CID 11310303
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
2-(1,1-diphenylethylsulfinyl)acetic acid
CID 67461676
2-tert-butyl-4-hydroxy-4-phenylpentanoic acid
CID 83139569
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-2-phenylpropan-2-ol?
The IUPAC name of 1-methylsulfinyl-2-phenylpropan-2-ol (CID 15013398) is 1-methylsulfinyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1-methylsulfinyl-2-phenylpropan-2-ol?
The canonical SMILES for 1-methylsulfinyl-2-phenylpropan-2-ol is CS(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-methylsulfinyl-2-phenylpropan-2-ol?
The InChIKey is FJYYGAJZOXSIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-10(11,8-13(2)12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3.
What are the key properties of 1-methylsulfinyl-2-phenylpropan-2-ol?
1-methylsulfinyl-2-phenylpropan-2-ol has a molecular weight of 198.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-2-phenylpropan-2-ol is sourced from PubChem (CID 15013398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).