C192H315F2N3O14 — CID 158060982
4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-[(1R)-1-hydroxypentyl]phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol (PubChem CID 158060982) has the molecular formula C192H315F2N3O14 and a molecular weight of 2927.63 g/mol. Its IUPAC name is 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-[(1R)-1-hydroxypentyl]phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol.
| Compound Name | 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-[(1R)-1-hydroxypentyl]phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol |
|---|---|
| PubChem CID | 158060982 |
| Molecular Formula | C192H315F2N3O14 |
| Molecular Weight | 2927.63 g/mol |
| Exact Mass | 2925.40 |
| IUPAC Name | 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-[(1R)-1-hydroxypentyl]phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol |
| SMILES | CCCC(=O)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(C)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(F)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(O)(CCC)CCc1cccc(CC(=O)CC)c1.CCCC(O)(CCC)CCc1cccc(CC(F)CC)c1.CCCC(O)(CCC)CCc1cccc(CC)c1.CCCC[C@@H](O)c1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CC(O)c1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCCCc1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCc1cccc(CCC(O)(CCC)CCC)c1 |
| InChI | InChI=1S/C21H35NO.C20H34O2.C20H34O.2C19H31FO.C19H31NO2.C19H31NO.2C19H30O2.C17H28O/c1-4-14-21(23,15-5-2)16-13-20-12-8-11-19(17-20)10-7-6-9-18(3)22;1-4-7-11-19(21)18-10-8-9-17(16-18)12-15-20(22,13-5-2)14-6-3;1-5-9-17(4)19-11-8-10-18(16-19)12-15-20(21,13-6-2)14-7-3;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-10-19(22,11-5-2)12-9-16-7-6-8-17(14-16)18(21)13-15(3)20;1-4-12-19(21,13-5-2)14-11-18-8-6-7-17(15-18)10-9-16(3)20;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-11-17(18,12-5-2)13-10-16-9-7-8-15(6-3)14-16/h8,11-12,17,22-23H,4-7,9-10,13-16H2,1-3H3;8-10,16,19,21-22H,4-7,11-15H2,1-3H3;8,10-11,16-17,21H,5-7,9,12-15H2,1-4H3;7-9,14,18,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,18,21H,4-6,8,11-14H2,1-3H3;6-8,14,18,20-22H,4-5,9-13H2,1-3H3;6-8,15,20-21H,4-5,9-14H2,1-3H3;7-9,14,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,21H,4-6,8,11-14H2,1-3H3;7-9,14,18H,4-6,10-13H2,1-3H3/b22-18+;;;;;20-15+;20-16+;;;/t;19-;;;;;;;;/m.1......../s1 |
| InChIKey | FKQFRXUOIREEAQ-VAQSBPPTSA-N |
| XLogP | 50.99 |
| TPSA | 348.45 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 101 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2927.63 |
| LogP ≤ 5 | 50.99 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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