1-(4-methylphenyl)sulfonylpropan-2-ol

C10H14O3S — CID 11229637

IUPAC1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)O)cc1
InChIInChI=1S/C10H14O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKeyFKWONTUYTTWYST-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.15
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylpropan-2-ol

1-(4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 11229637) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpropan-2-ol
PubChem CID11229637
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)O)cc1
InChIInChI=1S/C10H14O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKeyFKWONTUYTTWYST-UHFFFAOYSA-N
XLogP1.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonylpropan-2-ol (CID 11229637) is 1-(4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(S(=O)(=O)CC(C)O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is FKWONTUYTTWYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6,9,11H,7H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpropan-2-ol?
1-(4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 214.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 11229637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).