1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol

C10H12Cl2O3S — CID 115601600

IUPAC1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2O3S/c1-16(14,15)6-7(13)5-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyKYNLJQYBSNVQBW-UHFFFAOYSA-N
MW283.18 g/mol
LogP1.94
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol

1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol (PubChem CID 115601600) has the molecular formula C10H12Cl2O3S and a molecular weight of 283.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol
PubChem CID115601600
Molecular FormulaC10H12Cl2O3S
Molecular Weight283.18 g/mol
Exact Mass281.99
IUPAC Name1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2O3S/c1-16(14,15)6-7(13)5-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyKYNLJQYBSNVQBW-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,6-dichlorophenyl)pentane-2,3-diol
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CID 62606385
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
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3-chloro-2-(2-methylpropylsulfonylmethyl)aniline
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1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
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1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol (CID 115601600) is 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol is CS(=O)(=O)CC(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol?
The InChIKey is KYNLJQYBSNVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3S/c1-16(14,15)6-7(13)5-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol?
1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol has a molecular weight of 283.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 115601600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).