1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene

C11H14OS — CID 142045717

IUPAC1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene
SMILESCS/C=C/COc1ccc(C)cc1
InChIInChI=1S/C11H14OS/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h3-7,9H,8H2,1-2H3/b9-3+
InChIKeyQUGFSIBZMMBDFD-YCRREMRBSA-N
MW194.30 g/mol
LogP3.25
Rot. Bonds4

About 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene

1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene (PubChem CID 142045717) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene
PubChem CID142045717
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene
SMILESCS/C=C/COc1ccc(C)cc1
InChIInChI=1S/C11H14OS/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h3-7,9H,8H2,1-2H3/b9-3+
InChIKeyQUGFSIBZMMBDFD-YCRREMRBSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(4-methylphenoxy)but-2-en-1-amine
CID 171158072
methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
CID 161371007
ethyl (E)-4-(4-methylphenoxy)but-2-enoate
CID 80545659
1-methyl-4-(3-methylsulfanylprop-2-ynoxy)benzene
CID 42638165
butane-1,4-diol;1-methyl-4-(3-prop-2-enoxyprop-2-enoxy)benzene
CID 174744422
1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene
CID 54606183
2,5-bis(4-but-2-enoxyphenyl)thiophene
CID 54197936
1-ethoxy-4-methylbenzene;yttrium
CID 59970582
1-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoxy]benzene
CID 6377413
1-methyl-4-(3-prop-2-enoxyprop-2-enoxy)benzene;propane-1,2-diol
CID 174744411
(Z)-2-methyl-4-(4-methylphenoxy)but-2-enenitrile
CID 13468551
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene?
The IUPAC name of 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene (CID 142045717) is 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene?
The canonical SMILES for 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene is CS/C=C/COc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene?
The InChIKey is QUGFSIBZMMBDFD-YCRREMRBSA-N. The full InChI is InChI=1S/C11H14OS/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h3-7,9H,8H2,1-2H3/b9-3+.
What are the key properties of 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene?
1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene has a molecular weight of 194.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene is sourced from PubChem (CID 142045717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).