1-ethenyl-4-(ethylsulfonylmethyl)benzene

C11H14O2S — CID 18998004

IUPAC1-ethenyl-4-(ethylsulfonylmethyl)benzene
SMILESC=Cc1ccc(CS(=O)(=O)CC)cc1
InChIInChI=1S/C11H14O2S/c1-3-10-5-7-11(8-6-10)9-14(12,13)4-2/h3,5-8H,1,4,9H2,2H3
InChIKeyWUWZJPQGGJYRKF-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.26
Rot. Bonds4

About 1-ethenyl-4-(ethylsulfonylmethyl)benzene

1-ethenyl-4-(ethylsulfonylmethyl)benzene (PubChem CID 18998004) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-ethenyl-4-(ethylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(ethylsulfonylmethyl)benzene
PubChem CID18998004
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-ethenyl-4-(ethylsulfonylmethyl)benzene
SMILESC=Cc1ccc(CS(=O)(=O)CC)cc1
InChIInChI=1S/C11H14O2S/c1-3-10-5-7-11(8-6-10)9-14(12,13)4-2/h3,5-8H,1,4,9H2,2H3
InChIKeyWUWZJPQGGJYRKF-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (4-ethenylphenyl)methanesulfonate
CID 21496819
1-benzylsulfonyl-4-ethenylbenzene
CID 23089554
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
(4-ethenylphenyl)methyl-trimethylazanium;methanesulfonate
CID 71406708
1-ethenyl-4-(ethoxysulfanylmethyl)benzene
CID 175319601
1-(4-ethenylphenyl)propan-2-one
CID 70398942
2-[4-(ethylsulfonylmethyl)phenyl]acetic acid
CID 105345558
lithium;ethane;(4-ethenylphenyl)methylphosphonic acid
CID 88775368
lithium 3-(4-ethenylphenyl)propane-1-sulfonate
CID 58983822
1-(4-ethenylphenyl)pentan-3-one
CID 20804902
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(ethylsulfonylmethyl)benzene?
The IUPAC name of 1-ethenyl-4-(ethylsulfonylmethyl)benzene (CID 18998004) is 1-ethenyl-4-(ethylsulfonylmethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(ethylsulfonylmethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(ethylsulfonylmethyl)benzene is C=Cc1ccc(CS(=O)(=O)CC)cc1.
What is the InChIKey of 1-ethenyl-4-(ethylsulfonylmethyl)benzene?
The InChIKey is WUWZJPQGGJYRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-10-5-7-11(8-6-10)9-14(12,13)4-2/h3,5-8H,1,4,9H2,2H3.
What are the key properties of 1-ethenyl-4-(ethylsulfonylmethyl)benzene?
1-ethenyl-4-(ethylsulfonylmethyl)benzene has a molecular weight of 210.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(ethylsulfonylmethyl)benzene is sourced from PubChem (CID 18998004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).