About methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene (PubChem CID 161175155) has the molecular formula C17H22O2
and a molecular weight of 258.36 g/mol. Its IUPAC name is methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene.
Molecular Properties
| Compound Name | methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene |
| PubChem CID | 161175155 |
| Molecular Formula | C17H22O2 |
| Molecular Weight | 258.36 g/mol |
| Exact Mass | 258.16 |
| IUPAC Name | methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene |
| SMILES | C.COc1ccc(-c2ccc(OC)c(C)c2)cc1C |
| InChI | InChI=1S/C16H18O2.CH4/c1-11-9-13(5-7-15(11)17-3)14-6-8-16(18-4)12(2)10-14;/h5-10H,1-4H3;1H4 |
| InChIKey | URRXSZJLPIVFQZ-UHFFFAOYSA-N |
| XLogP | 4.62 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 258.36 |
| LogP ≤ 5 | 4.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene?
The IUPAC name of methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene (CID 161175155) is methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene.
What is the SMILES notation for methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene?
The canonical SMILES for methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene is C.COc1ccc(-c2ccc(OC)c(C)c2)cc1C.
What is the InChIKey of methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene?
The InChIKey is URRXSZJLPIVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.CH4/c1-11-9-13(5-7-15(11)17-3)14-6-8-16(18-4)12(2)10-14;/h5-10H,1-4H3;1H4.
What are the key properties of methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene?
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene has a molecular weight of 258.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene is sourced from PubChem (CID 161175155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).