C190H245F6N3O9 — CID 160567135
4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;2-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]ethanamine;[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methanamine;1-(4-methylcyclohexyl)-4-pentylbenzene;4-(4-pentylcyclohexyl)cyclohexan-1-ol;[4-(4-propylcyclohexyl)cyclohexyl]methanol;(4-propylcyclohexyl) 4-(5-hydroxypentyl)cyclohexane-1-carboxylate (PubChem CID 160567135) has the molecular formula C190H245F6N3O9 and a molecular weight of 2829.05 g/mol. Its IUPAC name is 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;2-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]ethanamine;[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methanamine;1-(4-methylcyclohexyl)-4-pentylbenzene;4-(4-pentylcyclohexyl)cyclohexan-1-ol;[4-(4-propylcyclohexyl)cyclohexyl]methanol;(4-propylcyclohexyl) 4-(5-hydroxypentyl)cyclohexane-1-carboxylate.
| Compound Name | 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;2-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]ethanamine;[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methanamine;1-(4-methylcyclohexyl)-4-pentylbenzene;4-(4-pentylcyclohexyl)cyclohexan-1-ol;[4-(4-propylcyclohexyl)cyclohexyl]methanol;(4-propylcyclohexyl) 4-(5-hydroxypentyl)cyclohexane-1-carboxylate |
|---|---|
| PubChem CID | 160567135 |
| Molecular Formula | C190H245F6N3O9 |
| Molecular Weight | 2829.05 g/mol |
| Exact Mass | 2826.87 |
| IUPAC Name | 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;2-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]ethanamine;[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methanamine;1-(4-methylcyclohexyl)-4-pentylbenzene;4-(4-pentylcyclohexyl)cyclohexan-1-ol;[4-(4-propylcyclohexyl)cyclohexyl]methanol;(4-propylcyclohexyl) 4-(5-hydroxypentyl)cyclohexane-1-carboxylate |
| SMILES | CCCC1CCC(C2CCC(CO)CC2)CC1.CCCC1CCC(OC(=O)C2CCC(CCCCCO)CC2)CC1.CCCCCC1CCC(C2CCC(O)CC2)CC1.CCCCCc1ccc(C2CCC(C)CC2)cc1.CCCCc1ccc(-c2ccc(O)cc2)cc1.CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(CCN)cc3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(CN)cc3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(N)cc3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(O)cc3)c(F)c2)cc1 |
| InChI | InChI=1S/C23H24FN.C22H22FN.C21H20FN.C21H19FO.C21H38O3.C18H28.C17H32O.C16H30O.C16H18O.C15H14F2O2/c1-2-3-17-4-8-19(9-5-17)21-12-13-22(23(24)16-21)20-10-6-18(7-11-20)14-15-25;1-2-3-16-4-8-18(9-5-16)20-12-13-21(22(23)14-20)19-10-6-17(15-24)7-11-19;2*1-2-3-15-4-6-16(7-5-15)18-10-13-20(21(22)14-18)17-8-11-19(23)12-9-17;1-2-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-4-3-5-16-22;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-9-19-13-8-7-12(14(16)15(13)17)10-3-5-11(18)6-4-10/h4-13,16H,2-3,14-15,25H2,1H3;4-14H,2-3,15,24H2,1H3;4-14H,2-3,23H2,1H3;4-14,23H,2-3H2,1H3;17-20,22H,2-16H2,1H3;9-10,13-15,17H,3-8,11-12H2,1-2H3;14-18H,2-13H2,1H3;13-17H,2-12H2,1H3;5-12,17H,2-4H2,1H3;3-8,18H,2,9H2,1H3 |
| InChIKey | RABLJCNIJZUKAW-UHFFFAOYSA-N |
| XLogP | 51.50 |
| TPSA | 234.97 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2829.05 |
| LogP ≤ 5 | 51.50 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'} |
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