1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene

C17H18O2S — CID 66553583

IUPAC1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESCOc1ccc(OC)c(/C=C/c2ccc(SC)cc2)c1
InChIInChI=1S/C17H18O2S/c1-18-15-8-11-17(19-2)14(12-15)7-4-13-5-9-16(20-3)10-6-13/h4-12H,1-3H3/b7-4+
InChIKeyQGHWGMTYOWUALR-QPJJXVBHSA-N
MW286.40 g/mol
LogP4.60
Rot. Bonds5

About 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene

1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene (PubChem CID 66553583) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
PubChem CID66553583
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESCOc1ccc(OC)c(/C=C/c2ccc(SC)cc2)c1
InChIInChI=1S/C17H18O2S/c1-18-15-8-11-17(19-2)14(12-15)7-4-13-5-9-16(20-3)10-6-13/h4-12H,1-3H3/b7-4+
InChIKeyQGHWGMTYOWUALR-QPJJXVBHSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
The IUPAC name of 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene (CID 66553583) is 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene is COc1ccc(OC)c(/C=C/c2ccc(SC)cc2)c1.
What is the InChIKey of 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
The InChIKey is QGHWGMTYOWUALR-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H18O2S/c1-18-15-8-11-17(19-2)14(12-15)7-4-13-5-9-16(20-3)10-6-13/h4-12H,1-3H3/b7-4+.
What are the key properties of 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene?
1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene has a molecular weight of 286.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene is sourced from PubChem (CID 66553583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).