C180H243N9O9 — CID 173405194
2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine (PubChem CID 173405194) has the molecular formula C180H243N9O9 and a molecular weight of 2676.98 g/mol. Its IUPAC name is 2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine.
| Compound Name | 2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine |
|---|---|
| PubChem CID | 173405194 |
| Molecular Formula | C180H243N9O9 |
| Molecular Weight | 2676.98 g/mol |
| Exact Mass | 2674.88 |
| IUPAC Name | 2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine |
| SMILES | CCCCCCCCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCCCCCCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCCCCCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCCCCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCCCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCCOc1ccc(CCc2ccc(CC)cn2)cc1.CCOc1ccc(CCc2ccc(CC)cn2)cc1.CCc1ccc(CCc2ccc(OC)cc2)nc1 |
| InChI | InChI=1S/C24H35NO.C23H33NO.C22H31NO.C21H29NO.C20H27NO.C19H25NO.C18H23NO.C17H21NO.C16H19NO/c1-3-5-6-7-8-9-10-19-26-24-17-13-22(14-18-24)12-16-23-15-11-21(4-2)20-25-23;1-3-5-6-7-8-9-18-25-23-16-12-21(13-17-23)11-15-22-14-10-20(4-2)19-24-22;1-3-5-6-7-8-17-24-22-15-11-20(12-16-22)10-14-21-13-9-19(4-2)18-23-21;1-3-5-6-7-16-23-21-14-10-19(11-15-21)9-13-20-12-8-18(4-2)17-22-20;1-3-5-6-15-22-20-13-9-18(10-14-20)8-12-19-11-7-17(4-2)16-21-19;1-3-5-14-21-19-12-8-17(9-13-19)7-11-18-10-6-16(4-2)15-20-18;1-3-13-20-18-11-7-16(8-12-18)6-10-17-9-5-15(4-2)14-19-17;1-3-14-5-9-16(18-13-14)10-6-15-7-11-17(12-8-15)19-4-2;1-3-13-4-8-15(17-12-13)9-5-14-6-10-16(18-2)11-7-14/h11,13-15,17-18,20H,3-10,12,16,19H2,1-2H3;10,12-14,16-17,19H,3-9,11,15,18H2,1-2H3;9,11-13,15-16,18H,3-8,10,14,17H2,1-2H3;8,10-12,14-15,17H,3-7,9,13,16H2,1-2H3;7,9-11,13-14,16H,3-6,8,12,15H2,1-2H3;6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3;5,7-9,11-12,14H,3-4,6,10,13H2,1-2H3;5,7-9,11-13H,3-4,6,10H2,1-2H3;4,6-8,10-12H,3,5,9H2,1-2H3 |
| InChIKey | SSDLFESMXQEBKN-UHFFFAOYSA-N |
| XLogP | 44.98 |
| TPSA | 199.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2676.98 |
| LogP ≤ 5 | 44.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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