About 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene (PubChem CID 11523963) has the molecular formula C28H22O2
and a molecular weight of 390.48 g/mol. Its IUPAC name is 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene.
Molecular Properties
| Compound Name | 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene |
| PubChem CID | 11523963 |
| Molecular Formula | C28H22O2 |
| Molecular Weight | 390.48 g/mol |
| Exact Mass | 390.16 |
| IUPAC Name | 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene |
| SMILES | COc1ccc(-c2c3ccccc3c(-c3ccccc3OC)c3ccccc23)cc1 |
| InChI | InChI=1S/C28H22O2/c1-29-20-17-15-19(16-18-20)27-21-9-3-5-11-23(21)28(24-12-6-4-10-22(24)27)25-13-7-8-14-26(25)30-2/h3-18H,1-2H3 |
| InChIKey | UBPQDGPCLRNJGM-UHFFFAOYSA-N |
| XLogP | 7.34 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 30 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 390.48 |
| LogP ≤ 5 | 7.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene?
The IUPAC name of 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene (CID 11523963) is 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene.
What is the SMILES notation for 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene?
The canonical SMILES for 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene is COc1ccc(-c2c3ccccc3c(-c3ccccc3OC)c3ccccc23)cc1.
What is the InChIKey of 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene?
The InChIKey is UBPQDGPCLRNJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-29-20-17-15-19(16-18-20)27-21-9-3-5-11-23(21)28(24-12-6-4-10-22(24)27)25-13-7-8-14-26(25)30-2/h3-18H,1-2H3.
What are the key properties of 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene?
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene has a molecular weight of 390.48 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene is sourced from PubChem (CID 11523963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).