About (1Z)-1-[(2-methoxyphenyl)methylidene]indene
(1Z)-1-[(2-methoxyphenyl)methylidene]indene (PubChem CID 92533355) has the molecular formula C17H14O
and a molecular weight of 234.30 g/mol. Its IUPAC name is (1Z)-1-[(2-methoxyphenyl)methylidene]indene.
Molecular Properties
| Compound Name | (1Z)-1-[(2-methoxyphenyl)methylidene]indene |
| PubChem CID | 92533355 |
| Molecular Formula | C17H14O |
| Molecular Weight | 234.30 g/mol |
| Exact Mass | 234.10 |
| IUPAC Name | (1Z)-1-[(2-methoxyphenyl)methylidene]indene |
| SMILES | COc1ccccc1/C=C1/C=Cc2ccccc21 |
| InChI | InChI=1S/C17H14O/c1-18-17-9-5-3-7-15(17)12-14-11-10-13-6-2-4-8-16(13)14/h2-12H,1H3/b14-12- |
| InChIKey | OBWYFXPPDTYSBV-OWBHPGMISA-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 (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
The IUPAC name of (1Z)-1-[(2-methoxyphenyl)methylidene]indene (CID 92533355) is (1Z)-1-[(2-methoxyphenyl)methylidene]indene.
What is the SMILES notation for (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
The canonical SMILES for (1Z)-1-[(2-methoxyphenyl)methylidene]indene is COc1ccccc1/C=C1/C=Cc2ccccc21.
What is the InChIKey of (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
The InChIKey is OBWYFXPPDTYSBV-OWBHPGMISA-N. The full InChI is InChI=1S/C17H14O/c1-18-17-9-5-3-7-15(17)12-14-11-10-13-6-2-4-8-16(13)14/h2-12H,1H3/b14-12-.
What are the key properties of (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
(1Z)-1-[(2-methoxyphenyl)methylidene]indene 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 (1Z)-1-[(2-methoxyphenyl)methylidene]indene is sourced from PubChem (CID 92533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).