1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene

C15H22O2S — CID 142555021

IUPAC1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
SMILESCCS(=O)(=O)C1CCC(c2cccc(C)c2)CC1
InChIInChI=1S/C15H22O2S/c1-3-18(16,17)15-9-7-13(8-10-15)14-6-4-5-12(2)11-14/h4-6,11,13,15H,3,7-10H2,1-2H3
InChIKeyMPRMCSBEQFZDON-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene

1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene (PubChem CID 142555021) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
PubChem CID142555021
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
SMILESCCS(=O)(=O)C1CCC(c2cccc(C)c2)CC1
InChIInChI=1S/C15H22O2S/c1-3-18(16,17)15-9-7-13(8-10-15)14-6-4-5-12(2)11-14/h4-6,11,13,15H,3,7-10H2,1-2H3
InChIKeyMPRMCSBEQFZDON-UHFFFAOYSA-N
XLogP3.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(4-methylsulfonylcyclohexyl)benzene
CID 142555015
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
cyclohexylcyclohexane;1-cyclohexyl-3-methylbenzene;ethane;iodoethane
CID 123173892
cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052943
1-chloro-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533532
1-bromo-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533525
1-[3-[(1S,2S,3S,5R)-3-ethyl-5-[[(2R,3S,4S,5S)-5-ethyl-2,4-dimethyl-3-[3-(3-methylphenyl)cyclopentyl]cyclohexyl]methylsulfonylmethyl]-2,6-dimethylcyclohexyl]cyclopentyl]-3-methylbenzene
CID 162292458
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene?
The IUPAC name of 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene (CID 142555021) is 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene.
What is the SMILES notation for 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene?
The canonical SMILES for 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene is CCS(=O)(=O)C1CCC(c2cccc(C)c2)CC1.
What is the InChIKey of 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene?
The InChIKey is MPRMCSBEQFZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-3-18(16,17)15-9-7-13(8-10-15)14-6-4-5-12(2)11-14/h4-6,11,13,15H,3,7-10H2,1-2H3.
What are the key properties of 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene?
1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene has a molecular weight of 266.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene is sourced from PubChem (CID 142555021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).