2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol

C11H15ClO3S — CID 105425091

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H15ClO3S/c1-11(2,7-13)8-4-5-10(9(12)6-8)16(3,14)15/h4-6,13H,7H2,1-3H3
InChIKeyUOGYWVVIOKDEIA-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.01
Rot. Bonds3

About 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol

2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol (PubChem CID 105425091) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol
PubChem CID105425091
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H15ClO3S/c1-11(2,7-13)8-4-5-10(9(12)6-8)16(3,14)15/h4-6,13H,7H2,1-3H3
InChIKeyUOGYWVVIOKDEIA-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol (CID 105425091) is 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
The InChIKey is UOGYWVVIOKDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-11(2,7-13)8-4-5-10(9(12)6-8)16(3,14)15/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol has a molecular weight of 262.76 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 105425091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).