About (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol
(4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol (PubChem CID 174141444) has the molecular formula C35H44ClNO3Si
and a molecular weight of 590.28 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol.
Molecular Properties
| Compound Name | (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol |
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| PubChem CID | 174141444 |
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| Molecular Formula | C35H44ClNO3Si |
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| Molecular Weight | 590.28 g/mol |
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| Exact Mass | 589.28 |
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| IUPAC Name | (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol |
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| SMILES | COc1cc(-c2cccc(CCO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(O)c3ccc(Cl)c(C)c3)ccc2n1 |
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| InChI | InChI=1S/C35H44ClNO3Si/c1-22(2)41(23(3)4,24(5)6)40-17-16-26-10-9-11-27(19-26)30-21-34(39-8)37-33-15-13-29(20-31(30)33)35(38)28-12-14-32(36)25(7)18-28/h9-15,18-24,35,38H,16-17H2,1-8H3 |
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| InChIKey | QAABFEWWQHNJKN-UHFFFAOYSA-N |
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| XLogP | 9.69 |
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| TPSA | 51.58 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 590.28 |
| LogP ≤ 5 | 9.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol (CID 174141444) is (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol is COc1cc(-c2cccc(CCO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(O)c3ccc(Cl)c(C)c3)ccc2n1.
What is the InChIKey of (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol?
The InChIKey is QAABFEWWQHNJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44ClNO3Si/c1-22(2)41(23(3)4,24(5)6)40-17-16-26-10-9-11-27(19-26)30-21-34(39-8)37-33-15-13-29(20-31(30)33)35(38)28-12-14-32(36)25(7)18-28/h9-15,18-24,35,38H,16-17H2,1-8H3.
What are the key properties of (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol?
(4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol has a molecular weight of 590.28 g/mol, XLogP of 9.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanol is sourced from PubChem (CID 174141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).