4-(2-hydroxy-2-methylpropyl)sulfonylphenol

C10H14O4S — CID 111435442

IUPAC4-(2-hydroxy-2-methylpropyl)sulfonylphenol
SMILESCC(C)(O)CS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C10H14O4S/c1-10(2,12)7-15(13,14)9-5-3-8(11)4-6-9/h3-6,11-12H,7H2,1-2H3
InChIKeyNHFKSXPVPMMPHD-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.94
Rot. Bonds3

About 4-(2-hydroxy-2-methylpropyl)sulfonylphenol

4-(2-hydroxy-2-methylpropyl)sulfonylphenol (PubChem CID 111435442) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)sulfonylphenol.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)sulfonylphenol
PubChem CID111435442
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name4-(2-hydroxy-2-methylpropyl)sulfonylphenol
SMILESCC(C)(O)CS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C10H14O4S/c1-10(2,12)7-15(13,14)9-5-3-8(11)4-6-9/h3-6,11-12H,7H2,1-2H3
InChIKeyNHFKSXPVPMMPHD-UHFFFAOYSA-N
XLogP0.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)sulfonylphenol?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)sulfonylphenol (CID 111435442) is 4-(2-hydroxy-2-methylpropyl)sulfonylphenol.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)sulfonylphenol?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)sulfonylphenol is CC(C)(O)CS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)sulfonylphenol?
The InChIKey is NHFKSXPVPMMPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-10(2,12)7-15(13,14)9-5-3-8(11)4-6-9/h3-6,11-12H,7H2,1-2H3.
What are the key properties of 4-(2-hydroxy-2-methylpropyl)sulfonylphenol?
4-(2-hydroxy-2-methylpropyl)sulfonylphenol has a molecular weight of 230.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)sulfonylphenol is sourced from PubChem (CID 111435442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).