About 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine
1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 158712169) has the molecular formula C57H77ClFN3O6
and a molecular weight of 954.71 g/mol. Its IUPAC name is 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine.
Molecular Properties
| Compound Name | 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine |
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| PubChem CID | 158712169 |
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| Molecular Formula | C57H77ClFN3O6 |
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| Molecular Weight | 954.71 g/mol |
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| Exact Mass | 953.55 |
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| IUPAC Name | 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine |
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| SMILES | C=Cc1ccc(OC(C)(C)C)cc1.CC(C)(C)Oc1ccccn1.CC(C)(C)Oc1cccnc1.CC(C)(C)Oc1ccncc1.CC(C)Oc1ccc(Cl)cc1.CC(C)Oc1ccc(F)cc1 |
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| InChI | InChI=1S/C12H16O.C9H11ClO.C9H11FO.3C9H13NO/c1-5-10-6-8-11(9-7-10)13-12(2,3)4;2*1-7(2)11-9-5-3-8(10)4-6-9;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)11-8-6-4-5-7-10-8/h5-9H,1H2,2-4H3;2*3-7H,1-2H3;3*4-7H,1-3H3 |
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| InChIKey | IIWCYACJOSYDFH-UHFFFAOYSA-N |
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| XLogP | 16.02 |
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| TPSA | 94.05 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 954.71 |
| LogP ≤ 5 | 16.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine (CID 158712169) is 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine is C=Cc1ccc(OC(C)(C)C)cc1.CC(C)(C)Oc1ccccn1.CC(C)(C)Oc1cccnc1.CC(C)(C)Oc1ccncc1.CC(C)Oc1ccc(Cl)cc1.CC(C)Oc1ccc(F)cc1.
What is the InChIKey of 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is IIWCYACJOSYDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C9H11ClO.C9H11FO.3C9H13NO/c1-5-10-6-8-11(9-7-10)13-12(2,3)4;2*1-7(2)11-9-5-3-8(10)4-6-9;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)11-8-6-4-5-7-10-8/h5-9H,1H2,2-4H3;2*3-7H,1-2H3;3*4-7H,1-3H3.
What are the key properties of 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine?
1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 954.71 g/mol, XLogP of 16.02, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-yloxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-propan-2-yloxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 158712169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).