[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride

C11H15ClO3S — CID 117117239

IUPAC[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
SMILESCC(C)(O)Cc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C11H15ClO3S/c1-11(2,13)7-9-4-3-5-10(6-9)8-16(12,14)15/h3-6,13H,7-8H2,1-2H3
InChIKeyQMGPYIUPEJCGRL-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.07
Rot. Bonds4

About [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride

[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride (PubChem CID 117117239) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
PubChem CID117117239
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
SMILESCC(C)(O)Cc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C11H15ClO3S/c1-11(2,13)7-9-4-3-5-10(6-9)8-16(12,14)15/h3-6,13H,7-8H2,1-2H3
InChIKeyQMGPYIUPEJCGRL-UHFFFAOYSA-N
XLogP2.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
CID 84713401
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 134204060
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
3-(chlorosulfonylmethyl)benzoyl chloride
CID 163930770
[3-(2-hydroxy-2-methylpropyl)phenyl]boronic acid
CID 67171669
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
(3-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710323
2-[3-(2-hydroxy-2-methylpropyl)phenyl]-2-oxoacetic acid
CID 117109001
[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
CID 117117226

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride (CID 117117239) is [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride is CC(C)(O)Cc1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride?
The InChIKey is QMGPYIUPEJCGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-11(2,13)7-9-4-3-5-10(6-9)8-16(12,14)15/h3-6,13H,7-8H2,1-2H3.
What are the key properties of [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride?
[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117117239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).