About 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene
4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene (PubChem CID 134533362) has the molecular formula C18H18O2
and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene.
Molecular Properties
| Compound Name | 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene |
| PubChem CID | 134533362 |
| Molecular Formula | C18H18O2 |
| Molecular Weight | 266.34 g/mol |
| Exact Mass | 266.13 |
| IUPAC Name | 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene |
| SMILES | C=Cc1ccc(Oc2ccc(C(=C)C)cc2)c(OC)c1 |
| InChI | InChI=1S/C18H18O2/c1-5-14-6-11-17(18(12-14)19-4)20-16-9-7-15(8-10-16)13(2)3/h5-12H,1-2H2,3-4H3 |
| InChIKey | AXXZPTKVDGGOJP-UHFFFAOYSA-N |
| XLogP | 5.16 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 266.34 |
| LogP ≤ 5 | 5.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene?
The IUPAC name of 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene (CID 134533362) is 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene.
What is the SMILES notation for 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene?
The canonical SMILES for 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene is C=Cc1ccc(Oc2ccc(C(=C)C)cc2)c(OC)c1.
What is the InChIKey of 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene?
The InChIKey is AXXZPTKVDGGOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-5-14-6-11-17(18(12-14)19-4)20-16-9-7-15(8-10-16)13(2)3/h5-12H,1-2H2,3-4H3.
What are the key properties of 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene?
4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene has a molecular weight of 266.34 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene is sourced from PubChem (CID 134533362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).