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

C11H15ClO3S — CID 10849115

IUPAC1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C(Cl)C(C)(C)O)cc1
InChIInChI=1S/C11H15ClO3S/c1-8-4-6-9(7-5-8)16(14,15)10(12)11(2,3)13/h4-7,10,13H,1-3H3
InChIKeyVDGOFSXJYJPLRZ-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.10
Rot. Bonds3

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

1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 10849115) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol
PubChem CID10849115
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C(Cl)C(C)(C)O)cc1
InChIInChI=1S/C11H15ClO3S/c1-8-4-6-9(7-5-8)16(14,15)10(12)11(2,3)13/h4-7,10,13H,1-3H3
InChIKeyVDGOFSXJYJPLRZ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane
CID 15914587
2-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfonylacetic acid
CID 67722902
N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide
CID 11032895
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
3-methoxy-3-methyl-2-(4-methylphenyl)sulfonylbutan-2-ol
CID 175302251
1,3-ditert-butyl-5-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 131742786
[(2R)-2,3-dihydroxy-3-methylbutyl] 4-methylbenzenesulfonate
CID 11000254
2-fluoro-2-(4-methylphenyl)sulfonylethanol
CID 115030535
2-(2-hydroxypropan-2-ylamino)propan-2-ol;4-methylbenzenesulfonic acid
CID 174628653
N-[(1S)-2,2-dichloro-1-(4-methylphenyl)sulfonylethyl]-4-methylbenzamide
CID 98328936
4-methylbenzenesulfonic acid
CID 157221593
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol (CID 10849115) is 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(S(=O)(=O)C(Cl)C(C)(C)O)cc1.
What is the InChIKey of 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is VDGOFSXJYJPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-8-4-6-9(7-5-8)16(14,15)10(12)11(2,3)13/h4-7,10,13H,1-3H3.
What are the key properties of 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol?
1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 262.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 10849115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).