[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene

C11H14O3S — CID 121218492

IUPAC[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
SMILESCO/C(C)=C/S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H14O3S/c1-10(14-2)8-15(12,13)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8+
InChIKeyFNKPBGQXFGJRPK-CSKARUKUSA-N
MW226.30 g/mol
LogP2.11
Rot. Bonds4

About [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene

[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene (PubChem CID 121218492) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene.

Molecular Properties

Compound Name[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
PubChem CID121218492
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
SMILESCO/C(C)=C/S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H14O3S/c1-10(14-2)8-15(12,13)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8+
InChIKeyFNKPBGQXFGJRPK-CSKARUKUSA-N
XLogP2.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene?
The IUPAC name of [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene (CID 121218492) is [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene.
What is the SMILES notation for [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene?
The canonical SMILES for [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene is CO/C(C)=C/S(=O)(=O)Cc1ccccc1.
What is the InChIKey of [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene?
The InChIKey is FNKPBGQXFGJRPK-CSKARUKUSA-N. The full InChI is InChI=1S/C11H14O3S/c1-10(14-2)8-15(12,13)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b10-8+.
What are the key properties of [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene?
[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene has a molecular weight of 226.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene is sourced from PubChem (CID 121218492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).