(1R)-1-(4-methylsulfonylphenyl)ethanol

C9H12O3S — CID 25324440

IUPAC(1R)-1-(4-methylsulfonylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H12O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7,10H,1-2H3/t7-/m1/s1
InChIKeyNYXCSMWVRWOPJP-SSDOTTSWSA-N
MW200.26 g/mol
LogP1.14
Rot. Bonds2

About (1R)-1-(4-methylsulfonylphenyl)ethanol

(1R)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 25324440) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is (1R)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID25324440
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name(1R)-1-(4-methylsulfonylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H12O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7,10H,1-2H3/t7-/m1/s1
InChIKeyNYXCSMWVRWOPJP-SSDOTTSWSA-N
XLogP1.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of (1R)-1-(4-methylsulfonylphenyl)ethanol (CID 25324440) is (1R)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-methylsulfonylphenyl)ethanol is C[C@@H](O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1R)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is NYXCSMWVRWOPJP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7,10H,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-methylsulfonylphenyl)ethanol?
(1R)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 200.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 25324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).