1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol

C13H18Cl2O3S — CID 65095539

IUPAC1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2O3S/c1-2-19(17,18)8-4-5-10(16)9-11-12(14)6-3-7-13(11)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyOJHAGRKOFVWERO-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.11
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol

1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol (PubChem CID 65095539) has the molecular formula C13H18Cl2O3S and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
PubChem CID65095539
Molecular FormulaC13H18Cl2O3S
Molecular Weight325.26 g/mol
Exact Mass324.04
IUPAC Name1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2O3S/c1-2-19(17,18)8-4-5-10(16)9-11-12(14)6-3-7-13(11)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyOJHAGRKOFVWERO-UHFFFAOYSA-N
XLogP3.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720
1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601600
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-one
CID 65097700
5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
CID 65095333
1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
CID 82805447
1-chloro-7-ethylsulfonylheptan-4-ol
CID 66047552
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
CID 65095643
1-ethylsulfonyl-6-phenylheptan-4-ol
CID 65150364
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol (CID 65095539) is 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol is CCS(=O)(=O)CCCC(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol?
The InChIKey is OJHAGRKOFVWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O3S/c1-2-19(17,18)8-4-5-10(16)9-11-12(14)6-3-7-13(11)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol?
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol has a molecular weight of 325.26 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol is sourced from PubChem (CID 65095539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).