About 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene
2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene (PubChem CID 160537374) has the molecular formula C58H54O
and a molecular weight of 767.07 g/mol. Its IUPAC name is 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene.
Molecular Properties
| Compound Name | 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene |
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| PubChem CID | 160537374 |
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| Molecular Formula | C58H54O |
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| Molecular Weight | 767.07 g/mol |
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| Exact Mass | 766.42 |
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| IUPAC Name | 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene |
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| SMILES | CC1C=Cc2ccccc21.CC1c2ccccc2-c2ccccc21.COc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12 |
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| InChI | InChI=1S/C14H12.C12H12O.2C11H10.C10H10/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-7-9-4-2-3-5-10(8)9/h2-10H,1H3;3-8H,1-2H3;2*2-8H,1H3;2-8H,1H3 |
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| InChIKey | QWIHEVYEBXMXLQ-UHFFFAOYSA-N |
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| XLogP | 16.09 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 767.07 |
| LogP ≤ 5 | 16.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene?
The IUPAC name of 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene (CID 160537374) is 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene.
What is the SMILES notation for 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene?
The canonical SMILES for 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene is CC1C=Cc2ccccc21.CC1c2ccccc2-c2ccccc21.COc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene?
The InChIKey is QWIHEVYEBXMXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C12H12O.2C11H10.C10H10/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-7-9-4-2-3-5-10(8)9/h2-10H,1H3;3-8H,1-2H3;2*2-8H,1H3;2-8H,1H3.
What are the key properties of 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene?
2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene has a molecular weight of 767.07 g/mol, XLogP of 16.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene is sourced from PubChem (CID 160537374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).