1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol

C13H16Cl2O3S — CID 65153658

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2O3S/c1-19(17,18)12-6-3-7-13(12,16)8-9-10(14)4-2-5-11(9)15/h2,4-5,12,16H,3,6-8H2,1H3
InChIKeyYMAHKIGODZQVSJ-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.86
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol

1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65153658) has the molecular formula C13H16Cl2O3S and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID65153658
Molecular FormulaC13H16Cl2O3S
Molecular Weight323.24 g/mol
Exact Mass322.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2O3S/c1-19(17,18)12-6-3-7-13(12,16)8-9-10(14)4-2-5-11(9)15/h2,4-5,12,16H,3,6-8H2,1H3
InChIKeyYMAHKIGODZQVSJ-UHFFFAOYSA-N
XLogP2.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol (CID 65153658) is 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is YMAHKIGODZQVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3S/c1-19(17,18)12-6-3-7-13(12,16)8-9-10(14)4-2-5-11(9)15/h2,4-5,12,16H,3,6-8H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 323.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65153658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).