2-(methylsulfonylmethyl)phenol

C8H10O3S — CID 54292704

IUPAC2-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccccc1O
InChIInChI=1S/C8H10O3S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3
InChIKeyDMOAJIIEJSFMMM-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.94
Rot. Bonds2

About 2-(methylsulfonylmethyl)phenol

2-(methylsulfonylmethyl)phenol (PubChem CID 54292704) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)phenol.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)phenol
PubChem CID54292704
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name2-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccccc1O
InChIInChI=1S/C8H10O3S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3
InChIKeyDMOAJIIEJSFMMM-UHFFFAOYSA-N
XLogP0.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)phenol?
The IUPAC name of 2-(methylsulfonylmethyl)phenol (CID 54292704) is 2-(methylsulfonylmethyl)phenol.
What is the SMILES notation for 2-(methylsulfonylmethyl)phenol?
The canonical SMILES for 2-(methylsulfonylmethyl)phenol is CS(=O)(=O)Cc1ccccc1O.
What is the InChIKey of 2-(methylsulfonylmethyl)phenol?
The InChIKey is DMOAJIIEJSFMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3.
What are the key properties of 2-(methylsulfonylmethyl)phenol?
2-(methylsulfonylmethyl)phenol has a molecular weight of 186.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)phenol is sourced from PubChem (CID 54292704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).