2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene

C12H16O2S — CID 118536209

IUPAC2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene
SMILESCCOc1cc(/C=C/S(C)=O)ccc1C
InChIInChI=1S/C12H16O2S/c1-4-14-12-9-11(6-5-10(12)2)7-8-15(3)13/h5-9H,4H2,1-3H3/b8-7+
InChIKeyZVOIBIJCLGISBY-BQYQJAHWSA-N
MW224.32 g/mol
LogP2.74
Rot. Bonds4

About 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene

2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene (PubChem CID 118536209) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene
PubChem CID118536209
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene
SMILESCCOc1cc(/C=C/S(C)=O)ccc1C
InChIInChI=1S/C12H16O2S/c1-4-14-12-9-11(6-5-10(12)2)7-8-15(3)13/h5-9H,4H2,1-3H3/b8-7+
InChIKeyZVOIBIJCLGISBY-BQYQJAHWSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene?
The IUPAC name of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene (CID 118536209) is 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene.
What is the SMILES notation for 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene?
The canonical SMILES for 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene is CCOc1cc(/C=C/S(C)=O)ccc1C.
What is the InChIKey of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene?
The InChIKey is ZVOIBIJCLGISBY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16O2S/c1-4-14-12-9-11(6-5-10(12)2)7-8-15(3)13/h5-9H,4H2,1-3H3/b8-7+.
What are the key properties of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene?
2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene has a molecular weight of 224.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene is sourced from PubChem (CID 118536209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).