(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene

C15H22O3S — CID 10802875

IUPAC(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene
SMILESCOC1CC(C)C(C)(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22O3S/c1-12-9-13(18-3)10-15(12,2)11-19(16,17)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyPIJDBFYWUUCNLY-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.91
Rot. Bonds4

About (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene

(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene (PubChem CID 10802875) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene.

Molecular Properties

Compound Name(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene
PubChem CID10802875
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene
SMILESCOC1CC(C)C(C)(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22O3S/c1-12-9-13(18-3)10-15(12,2)11-19(16,17)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyPIJDBFYWUUCNLY-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene?
The IUPAC name of (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene (CID 10802875) is (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene.
What is the SMILES notation for (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene?
The canonical SMILES for (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene is COC1CC(C)C(C)(CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene?
The InChIKey is PIJDBFYWUUCNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-12-9-13(18-3)10-15(12,2)11-19(16,17)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene?
(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene has a molecular weight of 282.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene is sourced from PubChem (CID 10802875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).