2-(3-methylsulfonylcyclobutyl)ethylbenzene

C13H18O2S — CID 142503329

IUPAC2-(3-methylsulfonylcyclobutyl)ethylbenzene
SMILESCS(=O)(=O)C1CC(CCc2ccccc2)C1
InChIInChI=1S/C13H18O2S/c1-16(14,15)13-9-12(10-13)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyJOWKLSAHUCNDLA-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.44
Rot. Bonds4

About 2-(3-methylsulfonylcyclobutyl)ethylbenzene

2-(3-methylsulfonylcyclobutyl)ethylbenzene (PubChem CID 142503329) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(3-methylsulfonylcyclobutyl)ethylbenzene.

Molecular Properties

Compound Name2-(3-methylsulfonylcyclobutyl)ethylbenzene
PubChem CID142503329
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-(3-methylsulfonylcyclobutyl)ethylbenzene
SMILESCS(=O)(=O)C1CC(CCc2ccccc2)C1
InChIInChI=1S/C13H18O2S/c1-16(14,15)13-9-12(10-13)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyJOWKLSAHUCNDLA-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylcyclobutyl)ethylbenzene?
The IUPAC name of 2-(3-methylsulfonylcyclobutyl)ethylbenzene (CID 142503329) is 2-(3-methylsulfonylcyclobutyl)ethylbenzene.
What is the SMILES notation for 2-(3-methylsulfonylcyclobutyl)ethylbenzene?
The canonical SMILES for 2-(3-methylsulfonylcyclobutyl)ethylbenzene is CS(=O)(=O)C1CC(CCc2ccccc2)C1.
What is the InChIKey of 2-(3-methylsulfonylcyclobutyl)ethylbenzene?
The InChIKey is JOWKLSAHUCNDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-16(14,15)13-9-12(10-13)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of 2-(3-methylsulfonylcyclobutyl)ethylbenzene?
2-(3-methylsulfonylcyclobutyl)ethylbenzene has a molecular weight of 238.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylcyclobutyl)ethylbenzene is sourced from PubChem (CID 142503329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).