(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol

C9H12O2S — CID 12061428

IUPAC(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol
SMILESC[S@](=O)[C@@H](CO)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-12(11)9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,12-/m0/s1
InChIKeyJNXNZYXAOMISNY-CABZTGNLSA-N
MW184.26 g/mol
LogP1.10
Rot. Bonds3

About (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol

(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol (PubChem CID 12061428) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol
PubChem CID12061428
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol
SMILESC[S@](=O)[C@@H](CO)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-12(11)9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,12-/m0/s1
InChIKeyJNXNZYXAOMISNY-CABZTGNLSA-N
XLogP1.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfinyl)-2-methyl-2-phenylhexan-1-ol
CID 9980142
5-(5-Hydroxy-4-methyl-4-phenylpentylsulfinyl)-2-methyl-2-phenylpentan-1-ol
CID 10092534
1-Phenyl-2-(methylthio)ethanol
CID 3014579
2-(Dodecylsulfinyl)-1-phenylethanol
CID 3660327
2-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
Sodium 1-hydroxy-2-phenylethane-1-sulfonate
CID 23688360
(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
CID 12684717
2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid
CID 413606
2-(1-Phenylpropylsulfonyl)ethanol
CID 71857010
2-[1-(4-Fluorophenyl)propylsulfonyl]ethanol
CID 71857027
1,1-Dioxo-3-(2-phenylethyl)thietan-3-ol
CID 145975086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol (CID 12061428) is (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol is C[S@](=O)[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol?
The InChIKey is JNXNZYXAOMISNY-CABZTGNLSA-N. The full InChI is InChI=1S/C9H12O2S/c1-12(11)9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,12-/m0/s1.
What are the key properties of (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol?
(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol has a molecular weight of 184.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-methylsulfinyl]-2-phenylethanol is sourced from PubChem (CID 12061428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).