1-methyl-3-(4-methylsulfonylcyclohexyl)benzene

C14H20O2S — CID 142555015

IUPAC1-methyl-3-(4-methylsulfonylcyclohexyl)benzene
SMILESCc1cccc(C2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20O2S/c1-11-4-3-5-13(10-11)12-6-8-14(9-7-12)17(2,15)16/h3-5,10,12,14H,6-9H2,1-2H3
InChIKeyAZSOZWZPOQLMDR-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.07
Rot. Bonds2

About 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene

1-methyl-3-(4-methylsulfonylcyclohexyl)benzene (PubChem CID 142555015) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(4-methylsulfonylcyclohexyl)benzene
PubChem CID142555015
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-methyl-3-(4-methylsulfonylcyclohexyl)benzene
SMILESCc1cccc(C2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20O2S/c1-11-4-3-5-13(10-11)12-6-8-14(9-7-12)17(2,15)16/h3-5,10,12,14H,6-9H2,1-2H3
InChIKeyAZSOZWZPOQLMDR-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
CID 142555021
1-chloro-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533532
1-bromo-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533525
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
4-(3-methylphenyl)oxane-2-carbaldehyde
CID 175373869
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene
CID 163917295
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 90754912
1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene
CID 57030513

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene?
The IUPAC name of 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene (CID 142555015) is 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene.
What is the SMILES notation for 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene?
The canonical SMILES for 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene is Cc1cccc(C2CCC(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene?
The InChIKey is AZSOZWZPOQLMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-11-4-3-5-13(10-11)12-6-8-14(9-7-12)17(2,15)16/h3-5,10,12,14H,6-9H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene?
1-methyl-3-(4-methylsulfonylcyclohexyl)benzene has a molecular weight of 252.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylsulfonylcyclohexyl)benzene is sourced from PubChem (CID 142555015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).