4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol

C15H22O3S — CID 106585290

IUPAC4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol
SMILESCc1cccc(S(=O)(=O)C2CC(C)(C)CCC2O)c1
InChIInChI=1S/C15H22O3S/c1-11-5-4-6-12(9-11)19(17,18)14-10-15(2,3)8-7-13(14)16/h4-6,9,13-14,16H,7-8,10H2,1-3H3
InChIKeyQUQFYBSYFCGBHN-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.71
Rot. Bonds2

About 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol

4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol (PubChem CID 106585290) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol
PubChem CID106585290
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol
SMILESCc1cccc(S(=O)(=O)C2CC(C)(C)CCC2O)c1
InChIInChI=1S/C15H22O3S/c1-11-5-4-6-12(9-11)19(17,18)14-10-15(2,3)8-7-13(14)16/h4-6,9,13-14,16H,7-8,10H2,1-3H3
InChIKeyQUQFYBSYFCGBHN-UHFFFAOYSA-N
XLogP2.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol (CID 106585290) is 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol is Cc1cccc(S(=O)(=O)C2CC(C)(C)CCC2O)c1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol?
The InChIKey is QUQFYBSYFCGBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11-5-4-6-12(9-11)19(17,18)14-10-15(2,3)8-7-13(14)16/h4-6,9,13-14,16H,7-8,10H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol?
4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol is sourced from PubChem (CID 106585290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).