1-(2-methoxyethylsulfonyl)-4-methylbenzene

C10H14O3S — CID 59676191

IUPAC1-(2-methoxyethylsulfonyl)-4-methylbenzene
SMILESCOCCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H14O3S/c1-9-3-5-10(6-4-9)14(11,12)8-7-13-2/h3-6H,7-8H2,1-2H3
InChIKeySVTDGCDQCZRYJF-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.42
Rot. Bonds4

About 1-(2-methoxyethylsulfonyl)-4-methylbenzene

1-(2-methoxyethylsulfonyl)-4-methylbenzene (PubChem CID 59676191) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-4-methylbenzene
PubChem CID59676191
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-(2-methoxyethylsulfonyl)-4-methylbenzene
SMILESCOCCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H14O3S/c1-9-3-5-10(6-4-9)14(11,12)8-7-13-2/h3-6H,7-8H2,1-2H3
InChIKeySVTDGCDQCZRYJF-UHFFFAOYSA-N
XLogP1.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-4-methylbenzene?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-4-methylbenzene (CID 59676191) is 1-(2-methoxyethylsulfonyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-4-methylbenzene?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-4-methylbenzene is COCCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-4-methylbenzene?
The InChIKey is SVTDGCDQCZRYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-9-3-5-10(6-4-9)14(11,12)8-7-13-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-4-methylbenzene?
1-(2-methoxyethylsulfonyl)-4-methylbenzene has a molecular weight of 214.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-4-methylbenzene is sourced from PubChem (CID 59676191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).