About 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene (PubChem CID 159818582) has the molecular formula C66H74
and a molecular weight of 867.32 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene.
Molecular Properties
| Compound Name | 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene |
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| PubChem CID | 159818582 |
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| Molecular Formula | C66H74 |
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| Molecular Weight | 867.32 g/mol |
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| Exact Mass | 866.58 |
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| IUPAC Name | 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene |
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| SMILES | Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccccc3)c2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1 |
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| InChI | InChI=1S/2C25H28.C16H18/c1-19-14-16-21(17-15-19)25(4,5)23-13-9-12-22(18-23)24(2,3)20-10-7-6-8-11-20;1-19-11-13-21(14-12-19)25(4,5)23-17-15-22(16-18-23)24(2,3)20-9-7-6-8-10-20;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h2*6-18H,1-5H3;4-12H,1-3H3 |
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| InChIKey | NLYAXRWKJKUMAC-UHFFFAOYSA-N |
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| XLogP | 17.61 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 867.32 |
| LogP ≤ 5 | 17.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene (CID 159818582) is 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene is Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccccc3)c2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
The InChIKey is NLYAXRWKJKUMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28.C16H18/c1-19-14-16-21(17-15-19)25(4,5)23-13-9-12-22(18-23)24(2,3)20-10-7-6-8-11-20;1-19-11-13-21(14-12-19)25(4,5)23-17-15-22(16-18-23)24(2,3)20-9-7-6-8-10-20;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h2*6-18H,1-5H3;4-12H,1-3H3.
What are the key properties of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene has a molecular weight of 867.32 g/mol, XLogP of 17.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 159818582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).