About 4-Methoxydiphenylmethane
4-Methoxydiphenylmethane (PubChem CID 13264) has the molecular formula C14H14O
and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-benzyl-4-methoxybenzene.
Molecular Properties
| Compound Name | 4-Methoxydiphenylmethane |
| PubChem CID | 13264 |
| Molecular Formula | C14H14O |
| Molecular Weight | 198.26 g/mol |
| Exact Mass | 198.10 |
| IUPAC Name | 1-benzyl-4-methoxybenzene |
| SMILES | COC1=CC=C(C=C1)CC2=CC=CC=C2 |
| InChI | InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | GQLYCRTUQGSDSM-UHFFFAOYSA-N |
| XLogP | 3.80 |
| TPSA | 9.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | 164 |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 198.26 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-Methoxydiphenylmethane?
The IUPAC name of 4-Methoxydiphenylmethane (CID 13264) is 1-benzyl-4-methoxybenzene.
What is the SMILES notation for 4-Methoxydiphenylmethane?
The canonical SMILES for 4-Methoxydiphenylmethane is COC1=CC=C(C=C1)CC2=CC=CC=C2.
What is the InChIKey of 4-Methoxydiphenylmethane?
The InChIKey is GQLYCRTUQGSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-Methoxydiphenylmethane?
4-Methoxydiphenylmethane has a molecular weight of 198.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methoxydiphenylmethane is sourced from PubChem (CID 13264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).