About methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene (PubChem CID 158331426) has the molecular formula C25H30O2
and a molecular weight of 362.51 g/mol. Its IUPAC name is methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene.
Molecular Properties
| Compound Name | methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene |
| PubChem CID | 158331426 |
| Molecular Formula | C25H30O2 |
| Molecular Weight | 362.51 g/mol |
| Exact Mass | 362.22 |
| IUPAC Name | methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene |
| SMILES | C.COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)C)cc1 |
| InChI | InChI=1S/C24H26O2.CH4/c1-18(2)24(19-8-6-5-7-9-19,20-10-14-22(25-3)15-11-20)21-12-16-23(26-4)17-13-21;/h5-18H,1-4H3;1H4 |
| InChIKey | GQBCRNAOODSFMW-UHFFFAOYSA-N |
| XLogP | 6.33 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 362.51 |
| LogP ≤ 5 | 6.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene?
The IUPAC name of methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene (CID 158331426) is methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene.
What is the SMILES notation for methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene?
The canonical SMILES for methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene is C.COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene?
The InChIKey is GQBCRNAOODSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.CH4/c1-18(2)24(19-8-6-5-7-9-19,20-10-14-22(25-3)15-11-20)21-12-16-23(26-4)17-13-21;/h5-18H,1-4H3;1H4.
What are the key properties of methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene?
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene has a molecular weight of 362.51 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene is sourced from PubChem (CID 158331426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).