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

C12H16OS — CID 118536236

IUPAC2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene
SMILESCCOc1cc(/C=C/SC)ccc1C
InChIInChI=1S/C12H16OS/c1-4-13-12-9-11(7-8-14-3)6-5-10(12)2/h5-9H,4H2,1-3H3/b8-7+
InChIKeyZOVOIEXHKYJPHQ-BQYQJAHWSA-N
MW208.33 g/mol
LogP3.73
Rot. Bonds4

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

2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene (PubChem CID 118536236) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene
PubChem CID118536236
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene
SMILESCCOc1cc(/C=C/SC)ccc1C
InChIInChI=1S/C12H16OS/c1-4-13-12-9-11(7-8-14-3)6-5-10(12)2/h5-9H,4H2,1-3H3/b8-7+
InChIKeyZOVOIEXHKYJPHQ-BQYQJAHWSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.73
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-methylsulfanylethenyl]benzene?
The IUPAC name of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene (CID 118536236) is 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene.
What is the SMILES notation for 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene?
The canonical SMILES for 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene is CCOc1cc(/C=C/SC)ccc1C.
What is the InChIKey of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene?
The InChIKey is ZOVOIEXHKYJPHQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16OS/c1-4-13-12-9-11(7-8-14-3)6-5-10(12)2/h5-9H,4H2,1-3H3/b8-7+.
What are the key properties of 2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene?
2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene has a molecular weight of 208.33 g/mol, XLogP of 3.73, 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-methylsulfanylethenyl]benzene is sourced from PubChem (CID 118536236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).