2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol

C13H16Cl2O3S — CID 2725944

IUPAC2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)C1CCCCC1O
InChIInChI=1S/C13H16Cl2O3S/c14-10-6-5-9(11(15)7-10)8-19(17,18)13-4-2-1-3-12(13)16/h5-7,12-13,16H,1-4,8H2
InChIKeyYQRXKLYEOGZSBY-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.21
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol

2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol (PubChem CID 2725944) has the molecular formula C13H16Cl2O3S and a molecular weight of 323.24 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol
PubChem CID2725944
Molecular FormulaC13H16Cl2O3S
Molecular Weight323.24 g/mol
Exact Mass322.02
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)C1CCCCC1O
InChIInChI=1S/C13H16Cl2O3S/c14-10-6-5-9(11(15)7-10)8-19(17,18)13-4-2-1-3-12(13)16/h5-7,12-13,16H,1-4,8H2
InChIKeyYQRXKLYEOGZSBY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol (CID 2725944) is 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol is O=S(=O)(Cc1ccc(Cl)cc1Cl)C1CCCCC1O.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol?
The InChIKey is YQRXKLYEOGZSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3S/c14-10-6-5-9(11(15)7-10)8-19(17,18)13-4-2-1-3-12(13)16/h5-7,12-13,16H,1-4,8H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol?
2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol has a molecular weight of 323.24 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfonyl]cyclohexan-1-ol is sourced from PubChem (CID 2725944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).