1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene

C17H18O2S — CID 144942849

IUPAC1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
SMILESC=Cc1ccc(OC)cc1SCc1ccc(OC)cc1
InChIInChI=1S/C17H18O2S/c1-4-14-7-10-16(19-3)11-17(14)20-12-13-5-8-15(18-2)9-6-13/h4-11H,1,12H2,2-3H3
InChIKeyYLQNYVGLIGOIMN-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.64
Rot. Bonds6

About 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene

1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene (PubChem CID 144942849) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
PubChem CID144942849
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
SMILESC=Cc1ccc(OC)cc1SCc1ccc(OC)cc1
InChIInChI=1S/C17H18O2S/c1-4-14-7-10-16(19-3)11-17(14)20-12-13-5-8-15(18-2)9-6-13/h4-11H,1,12H2,2-3H3
InChIKeyYLQNYVGLIGOIMN-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
4-chloro-N-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 154989588
2-chloro-1-ethenyl-4-[(4-methoxyphenyl)methoxy]benzene
CID 134457948

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The IUPAC name of 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene (CID 144942849) is 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene is C=Cc1ccc(OC)cc1SCc1ccc(OC)cc1.
What is the InChIKey of 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The InChIKey is YLQNYVGLIGOIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-4-14-7-10-16(19-3)11-17(14)20-12-13-5-8-15(18-2)9-6-13/h4-11H,1,12H2,2-3H3.
What are the key properties of 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene has a molecular weight of 286.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene is sourced from PubChem (CID 144942849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).