About 2-(4-methoxyphenyl)-1-methylideneindene
2-(4-methoxyphenyl)-1-methylideneindene (PubChem CID 54763149) has the molecular formula C17H14O
and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methylideneindene.
Molecular Properties
| Compound Name | 2-(4-methoxyphenyl)-1-methylideneindene |
| PubChem CID | 54763149 |
| Molecular Formula | C17H14O |
| Molecular Weight | 234.30 g/mol |
| Exact Mass | 234.10 |
| IUPAC Name | 2-(4-methoxyphenyl)-1-methylideneindene |
| SMILES | C=C1C(c2ccc(OC)cc2)=Cc2ccccc21 |
| InChI | InChI=1S/C17H14O/c1-12-16-6-4-3-5-14(16)11-17(12)13-7-9-15(18-2)10-8-13/h3-11H,1H2,2H3 |
| InChIKey | CZVIFFTVSFSXCJ-UHFFFAOYSA-N |
| XLogP | 4.26 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 234.30 |
| LogP ≤ 5 | 4.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methoxyphenyl)-1-methylideneindene?
The IUPAC name of 2-(4-methoxyphenyl)-1-methylideneindene (CID 54763149) is 2-(4-methoxyphenyl)-1-methylideneindene.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methylideneindene?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methylideneindene is C=C1C(c2ccc(OC)cc2)=Cc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methylideneindene?
The InChIKey is CZVIFFTVSFSXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-12-16-6-4-3-5-14(16)11-17(12)13-7-9-15(18-2)10-8-13/h3-11H,1H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methylideneindene?
2-(4-methoxyphenyl)-1-methylideneindene has a molecular weight of 234.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methylideneindene is sourced from PubChem (CID 54763149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).