1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene

C11H14OS — CID 14224427

IUPAC1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1OCSC
InChIInChI=1S/C11H14OS/c1-3-6-10-7-4-5-8-11(10)12-9-13-2/h3-5,7-8H,1,6,9H2,2H3
InChIKeyDJVWWMWHDRHHBF-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.11
Rot. Bonds5

About 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene

1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene (PubChem CID 14224427) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
PubChem CID14224427
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1OCSC
InChIInChI=1S/C11H14OS/c1-3-6-10-7-4-5-8-11(10)12-9-13-2/h3-5,7-8H,1,6,9H2,2H3
InChIKeyDJVWWMWHDRHHBF-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
CID 15477926
CID 15477926
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
1-(3-bromo-2,2-dimethylpropoxy)-2-prop-2-enylbenzene
CID 64994697
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
1-[2-(bromomethyl)-2-ethylbutoxy]-2-prop-2-enylbenzene
CID 64998365
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene?
The IUPAC name of 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene (CID 14224427) is 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene.
What is the SMILES notation for 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene?
The canonical SMILES for 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene is C=CCc1ccccc1OCSC.
What is the InChIKey of 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene?
The InChIKey is DJVWWMWHDRHHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-6-10-7-4-5-8-11(10)12-9-13-2/h3-5,7-8H,1,6,9H2,2H3.
What are the key properties of 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene?
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene has a molecular weight of 194.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene is sourced from PubChem (CID 14224427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).