2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol

C12H24O3S — CID 147916125

IUPAC2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol
SMILESCS(=O)(=O)CCCC1CCC(CCO)CC1
InChIInChI=1S/C12H24O3S/c1-16(14,15)10-2-3-11-4-6-12(7-5-11)8-9-13/h11-13H,2-10H2,1H3
InChIKeyIHCFELZATUHICQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.00
Rot. Bonds6

About 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol

2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol (PubChem CID 147916125) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol
PubChem CID147916125
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol
SMILESCS(=O)(=O)CCCC1CCC(CCO)CC1
InChIInChI=1S/C12H24O3S/c1-16(14,15)10-2-3-11-4-6-12(7-5-11)8-9-13/h11-13H,2-10H2,1H3
InChIKeyIHCFELZATUHICQ-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,3-Difluorobutylsulfonylmethyl)cyclohexyl]methanol
CID 59378323
[(2S,3S,4S)-3-hexyl-4-methyl-1-oxothietan-2-yl]methanol
CID 134926539
[(2R,3R,4S)-3-hexyl-4-methyl-1-oxothietan-2-yl]methanol
CID 134994631
1-Cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
CID 135080524
1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-ol
CID 105082591
4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082592
4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082645
4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101851
1-(3,3-Difluorocyclohexyl)-4-methylsulfonylbutan-1-ol
CID 114215701
1-(4,4-Difluorocyclohexyl)-3-methylsulfonylpropan-1-ol
CID 114983839
3-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 114983840
3-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 114983873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol?
The IUPAC name of 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol (CID 147916125) is 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol is CS(=O)(=O)CCCC1CCC(CCO)CC1.
What is the InChIKey of 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol?
The InChIKey is IHCFELZATUHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-16(14,15)10-2-3-11-4-6-12(7-5-11)8-9-13/h11-13H,2-10H2,1H3.
What are the key properties of 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol?
2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol has a molecular weight of 248.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylsulfonylpropyl)cyclohexyl]ethanol is sourced from PubChem (CID 147916125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).