1-methyl-4-(1-methylsulfonylcyclopentyl)benzene

C13H18O2S — CID 59019789

IUPAC1-methyl-4-(1-methylsulfonylcyclopentyl)benzene
SMILESCc1ccc(C2(S(C)(=O)=O)CCCC2)cc1
InChIInChI=1S/C13H18O2S/c1-11-5-7-12(8-6-11)13(16(2,14)15)9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLDQASOPMONAFCR-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene

1-methyl-4-(1-methylsulfonylcyclopentyl)benzene (PubChem CID 59019789) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfonylcyclopentyl)benzene
PubChem CID59019789
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-methyl-4-(1-methylsulfonylcyclopentyl)benzene
SMILESCc1ccc(C2(S(C)(=O)=O)CCCC2)cc1
InChIInChI=1S/C13H18O2S/c1-11-5-7-12(8-6-11)13(16(2,14)15)9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLDQASOPMONAFCR-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene?
The IUPAC name of 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene (CID 59019789) is 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene.
What is the SMILES notation for 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene?
The canonical SMILES for 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene is Cc1ccc(C2(S(C)(=O)=O)CCCC2)cc1.
What is the InChIKey of 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene?
The InChIKey is LDQASOPMONAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-11-5-7-12(8-6-11)13(16(2,14)15)9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene?
1-methyl-4-(1-methylsulfonylcyclopentyl)benzene has a molecular weight of 238.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfonylcyclopentyl)benzene is sourced from PubChem (CID 59019789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).