C155H172BrCl4F5O17 — CID 159274058
5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane (PubChem CID 159274058) has the molecular formula C155H172BrCl4F5O17 and a molecular weight of 2623.77 g/mol. Its IUPAC name is 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane.
| Compound Name | 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane |
|---|---|
| PubChem CID | 159274058 |
| Molecular Formula | C155H172BrCl4F5O17 |
| Molecular Weight | 2623.77 g/mol |
| Exact Mass | 2619.05 |
| IUPAC Name | 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane |
| SMILES | C.CC(=O)CCCc1ccc(OC2CCC(OCc3c(Cl)cccc3Cl)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(C)cc3)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(Cl)cc3Br)CC2)cc1-c1cccc(F)c1.COc1cc(C)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1.COc1cc(Cl)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1 |
| InChI | InChI=1S/C32H37FO4.C31H34ClFO4.C31H35FO3.C30H31BrClFO3.C30H31Cl2FO3.CH4/c1-22-10-11-26(32(18-22)35-3)21-36-28-14-16-29(17-15-28)37-30-13-12-24(7-4-6-23(2)34)31(20-30)25-8-5-9-27(33)19-25;1-21(34)5-3-6-22-10-12-29(19-30(22)23-7-4-8-26(33)17-23)37-28-15-13-27(14-16-28)36-20-24-9-11-25(32)18-31(24)35-2;1-22-9-11-24(12-10-22)21-34-28-15-17-29(18-16-28)35-30-14-13-25(6-3-5-23(2)33)31(20-30)26-7-4-8-27(32)19-26;1-20(34)4-2-5-21-9-11-28(18-29(21)22-6-3-7-25(33)16-22)36-27-14-12-26(13-15-27)35-19-23-8-10-24(32)17-30(23)31;1-20(34)5-2-6-21-11-12-26(18-27(21)22-7-3-8-23(33)17-22)36-25-15-13-24(14-16-25)35-19-28-29(31)9-4-10-30(28)32;/h5,8-13,18-20,28-29H,4,6-7,14-17,21H2,1-3H3;4,7-12,17-19,27-28H,3,5-6,13-16,20H2,1-2H3;4,7-14,19-20,28-29H,3,5-6,15-18,21H2,1-2H3;3,6-11,16-18,26-27H,2,4-5,12-15,19H2,1H3;3-4,7-12,17-18,24-25H,2,5-6,13-16,19H2,1H3;1H4 |
| InChIKey | KYBQGRMDINZUFG-UHFFFAOYSA-N |
| XLogP | 41.20 |
| TPSA | 196.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2623.77 |
| LogP ≤ 5 | 41.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |