1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol

C16H22O3S — CID 11808541

IUPAC1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol
SMILESC=CC(C1(O)CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22O3S/c1-3-15(16(17)11-5-4-6-12-16)20(18,19)14-9-7-13(2)8-10-14/h3,7-10,15,17H,1,4-6,11-12H2,2H3
InChIKeyWPIJKAALNMJUIE-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.02
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol

1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol (PubChem CID 11808541) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol
PubChem CID11808541
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol
SMILESC=CC(C1(O)CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22O3S/c1-3-15(16(17)11-5-4-6-12-16)20(18,19)14-9-7-13(2)8-10-14/h3,7-10,15,17H,1,4-6,11-12H2,2H3
InChIKeyWPIJKAALNMJUIE-UHFFFAOYSA-N
XLogP3.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,3-di[(4-methylphenyl)sulfonyl]propan-2-ol
CID 2740216
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
1-Methyl-4-[(2-phenylethyl)sulfonyl]benzene
CID 747207
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
2-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
4-Methylphenyl 3-phenyl-1-propenyl sulfone
CID 12687371
2-Methyl-3-[(4-methylphenyl)sulfonyl]-4-penten-2-ol
CID 13283434
1-(Cyclohexylsulfonyl)-4-methylbenzene
CID 265414
trans-(1R,2R)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 11031949
2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298
1-[(4-Methylphenyl)sulfonyl]-2-phenylpropan-2-ol
CID 15850358

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol (CID 11808541) is 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol is C=CC(C1(O)CCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol?
The InChIKey is WPIJKAALNMJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3S/c1-3-15(16(17)11-5-4-6-12-16)20(18,19)14-9-7-13(2)8-10-14/h3,7-10,15,17H,1,4-6,11-12H2,2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol?
1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol has a molecular weight of 294.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylprop-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 11808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).