2-ethenylsulfonylethoxymethylbenzene

C11H14O3S — CID 5141696

IUPAC2-ethenylsulfonylethoxymethylbenzene
SMILESC=CS(=O)(=O)CCOCc1ccccc1
InChIInChI=1S/C11H14O3S/c1-2-15(12,13)9-8-14-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChIKeyBDGRXPUTTBPTDG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.76
Rot. Bonds6

About 2-ethenylsulfonylethoxymethylbenzene

2-ethenylsulfonylethoxymethylbenzene (PubChem CID 5141696) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-ethenylsulfonylethoxymethylbenzene.

Molecular Properties

Compound Name2-ethenylsulfonylethoxymethylbenzene
PubChem CID5141696
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-ethenylsulfonylethoxymethylbenzene
SMILESC=CS(=O)(=O)CCOCc1ccccc1
InChIInChI=1S/C11H14O3S/c1-2-15(12,13)9-8-14-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChIKeyBDGRXPUTTBPTDG-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene
CID 10571462
CID 44818876
CID 44818876
ethenylsulfonylmethyl(113C)cyclohexatriene
CID 67499319
4-phenylmethoxybutane-1-sulfonate
CID 59763065
sodium 4-phenylmethoxybutane-1-sulfonate
CID 87669395
disodium;phenylmethoxymethylbenzene;sulfate
CID 70513406
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
3-(amino-methyl-oxo-λ6-sulfanylidene)propoxymethylbenzene
CID 123438576
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylethoxymethylbenzene?
The IUPAC name of 2-ethenylsulfonylethoxymethylbenzene (CID 5141696) is 2-ethenylsulfonylethoxymethylbenzene.
What is the SMILES notation for 2-ethenylsulfonylethoxymethylbenzene?
The canonical SMILES for 2-ethenylsulfonylethoxymethylbenzene is C=CS(=O)(=O)CCOCc1ccccc1.
What is the InChIKey of 2-ethenylsulfonylethoxymethylbenzene?
The InChIKey is BDGRXPUTTBPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-2-15(12,13)9-8-14-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2.
What are the key properties of 2-ethenylsulfonylethoxymethylbenzene?
2-ethenylsulfonylethoxymethylbenzene has a molecular weight of 226.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylethoxymethylbenzene is sourced from PubChem (CID 5141696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).