About 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol
2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol (PubChem CID 70075288) has the molecular formula C20H19NO2
and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol.
Molecular Properties
| Compound Name | 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol |
| PubChem CID | 70075288 |
| Molecular Formula | C20H19NO2 |
| Molecular Weight | 305.38 g/mol |
| Exact Mass | 305.14 |
| IUPAC Name | 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol |
| SMILES | COc1ccc(C(Cc2ccccn2)c2ccccc2)cc1O |
| InChI | InChI=1S/C20H19NO2/c1-23-20-11-10-16(13-19(20)22)18(15-7-3-2-4-8-15)14-17-9-5-6-12-21-17/h2-13,18,22H,14H2,1H3 |
| InChIKey | LHYYZTAHEUWPQH-UHFFFAOYSA-N |
| XLogP | 4.17 |
| TPSA | 42.35 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 305.38 |
| LogP ≤ 5 | 4.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol?
The IUPAC name of 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol (CID 70075288) is 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol.
What is the SMILES notation for 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol?
The canonical SMILES for 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol is COc1ccc(C(Cc2ccccn2)c2ccccc2)cc1O.
What is the InChIKey of 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol?
The InChIKey is LHYYZTAHEUWPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-20-11-10-16(13-19(20)22)18(15-7-3-2-4-8-15)14-17-9-5-6-12-21-17/h2-13,18,22H,14H2,1H3.
What are the key properties of 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol?
2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol has a molecular weight of 305.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol is sourced from PubChem (CID 70075288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).