1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene

C11H14OS — CID 134934706

IUPAC1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
SMILESCOc1ccc(/C(C)=C/SC)cc1
InChIInChI=1S/C11H14OS/c1-9(8-13-3)10-4-6-11(12-2)7-5-10/h4-8H,1-3H3/b9-8+
InChIKeyDHHGUVJTRQXYKC-CMDGGOBGSA-N
MW194.30 g/mol
LogP3.42
Rot. Bonds3

About 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene

1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene (PubChem CID 134934706) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
PubChem CID134934706
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
SMILESCOc1ccc(/C(C)=C/SC)cc1
InChIInChI=1S/C11H14OS/c1-9(8-13-3)10-4-6-11(12-2)7-5-10/h4-8H,1-3H3/b9-8+
InChIKeyDHHGUVJTRQXYKC-CMDGGOBGSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl (E)-3-(4-methoxyphenyl)but-2-enoate
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1-methoxy-4-[1-(sulfinoamino)prop-1-en-2-yl]benzene
CID 175080674
1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
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CID 12714057
CID 12714057
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene (CID 134934706) is 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene is COc1ccc(/C(C)=C/SC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene?
The InChIKey is DHHGUVJTRQXYKC-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H14OS/c1-9(8-13-3)10-4-6-11(12-2)7-5-10/h4-8H,1-3H3/b9-8+.
What are the key properties of 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene?
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene has a molecular weight of 194.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene is sourced from PubChem (CID 134934706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).