3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol

C11H16O3S — CID 115036820

IUPAC3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
SMILESCC(C)(CS(C)(=O)=O)c1cccc(O)c1
InChIInChI=1S/C11H16O3S/c1-11(2,8-15(3,13)14)9-5-4-6-10(12)7-9/h4-7,12H,8H2,1-3H3
InChIKeyLZVDBKYDCNQUKQ-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.71
Rot. Bonds3

About 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol

3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol (PubChem CID 115036820) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol.

Molecular Properties

Compound Name3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
PubChem CID115036820
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
SMILESCC(C)(CS(C)(=O)=O)c1cccc(O)c1
InChIInChI=1S/C11H16O3S/c1-11(2,8-15(3,13)14)9-5-4-6-10(12)7-9/h4-7,12H,8H2,1-3H3
InChIKeyLZVDBKYDCNQUKQ-UHFFFAOYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol?
The IUPAC name of 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol (CID 115036820) is 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol.
What is the SMILES notation for 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol?
The canonical SMILES for 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol is CC(C)(CS(C)(=O)=O)c1cccc(O)c1.
What is the InChIKey of 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol?
The InChIKey is LZVDBKYDCNQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-11(2,8-15(3,13)14)9-5-4-6-10(12)7-9/h4-7,12H,8H2,1-3H3.
What are the key properties of 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol?
3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol has a molecular weight of 228.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol is sourced from PubChem (CID 115036820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).