About (1-methoxy-2-phenoxyethenyl)benzene
(1-methoxy-2-phenoxyethenyl)benzene (PubChem CID 164530223) has the molecular formula C15H14O2
and a molecular weight of 226.28 g/mol. Its IUPAC name is (1-methoxy-2-phenoxyethenyl)benzene.
Molecular Properties
| Compound Name | (1-methoxy-2-phenoxyethenyl)benzene |
| PubChem CID | 164530223 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.28 g/mol |
| Exact Mass | 226.10 |
| IUPAC Name | (1-methoxy-2-phenoxyethenyl)benzene |
| SMILES | COC(=COc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C15H14O2/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-12H,1H3 |
| InChIKey | NSTHVHMMDGMSTC-UHFFFAOYSA-N |
| XLogP | 3.71 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.28 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (1-methoxy-2-phenoxyethenyl)benzene?
The IUPAC name of (1-methoxy-2-phenoxyethenyl)benzene (CID 164530223) is (1-methoxy-2-phenoxyethenyl)benzene.
What is the SMILES notation for (1-methoxy-2-phenoxyethenyl)benzene?
The canonical SMILES for (1-methoxy-2-phenoxyethenyl)benzene is COC(=COc1ccccc1)c1ccccc1.
What is the InChIKey of (1-methoxy-2-phenoxyethenyl)benzene?
The InChIKey is NSTHVHMMDGMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of (1-methoxy-2-phenoxyethenyl)benzene?
(1-methoxy-2-phenoxyethenyl)benzene has a molecular weight of 226.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenoxyethenyl)benzene is sourced from PubChem (CID 164530223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).