(1R)-2-methylsulfonyl-1-phenylethanol

C9H12O3S — CID 12684717

IUPAC(1R)-2-methylsulfonyl-1-phenylethanol
SMILESCS(=O)(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
InChIKeyFVZQEVNJWREWHU-VIFPVBQESA-N
MW200.26 g/mol
LogP0.76
Rot. Bonds3

About (1R)-2-methylsulfonyl-1-phenylethanol

(1R)-2-methylsulfonyl-1-phenylethanol (PubChem CID 12684717) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is (1R)-2-methylsulfonyl-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-methylsulfonyl-1-phenylethanol
PubChem CID12684717
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name(1R)-2-methylsulfonyl-1-phenylethanol
SMILESCS(=O)(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
InChIKeyFVZQEVNJWREWHU-VIFPVBQESA-N
XLogP0.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methylsulfonyl-1-phenylethanol?
The IUPAC name of (1R)-2-methylsulfonyl-1-phenylethanol (CID 12684717) is (1R)-2-methylsulfonyl-1-phenylethanol.
What is the SMILES notation for (1R)-2-methylsulfonyl-1-phenylethanol?
The canonical SMILES for (1R)-2-methylsulfonyl-1-phenylethanol is CS(=O)(=O)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-methylsulfonyl-1-phenylethanol?
The InChIKey is FVZQEVNJWREWHU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-2-methylsulfonyl-1-phenylethanol?
(1R)-2-methylsulfonyl-1-phenylethanol has a molecular weight of 200.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methylsulfonyl-1-phenylethanol is sourced from PubChem (CID 12684717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).