C214H237BrClF9O23 — CID 161210170
5-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-cyclohex-2-en-1-yloxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(2,3-dihydroxycyclohexyl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(5,5-dimethylcyclohex-2-en-1-yl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-fluorophenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]pentan-2-one (PubChem CID 161210170) has the molecular formula C214H237BrClF9O23 and a molecular weight of 3463.57 g/mol. Its IUPAC name is 5-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-cyclohex-2-en-1-yloxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(2,3-dihydroxycyclohexyl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(5,5-dimethylcyclohex-2-en-1-yl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-fluorophenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]pentan-2-one.
| Compound Name | 5-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-cyclohex-2-en-1-yloxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(2,3-dihydroxycyclohexyl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(5,5-dimethylcyclohex-2-en-1-yl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-fluorophenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]pentan-2-one |
|---|---|
| PubChem CID | 161210170 |
| Molecular Formula | C214H237BrClF9O23 |
| Molecular Weight | 3463.57 g/mol |
| Exact Mass | 3459.61 |
| IUPAC Name | 5-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-cyclohex-2-en-1-yloxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(2,3-dihydroxycyclohexyl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-(5,5-dimethylcyclohex-2-en-1-yl)oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-fluorophenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-hydroxycyclohexyl)oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]pentan-2-one |
| SMILES | CC(=O)CCCc1ccc(OC2C=CCC(C)(C)C2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2C=CCCC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccccc3Br)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccccc3Cl)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccccc3F)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCCC(O)C2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCCC(O)C2O)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCCC(OCc3ccccc3)C2)cc1-c1cccc(F)c1 |
| InChI | InChI=1S/C30H32BrFO3.C30H32ClFO3.C30H32F2O3.C30H33FO3.C25H29FO2.C23H27FO4.C23H27FO3.C23H25FO2/c2*1-21(33)6-4-8-22-12-13-28(19-29(22)23-9-5-10-25(32)18-23)35-27-16-14-26(15-17-27)34-20-24-7-2-3-11-30(24)31;1-21(33)6-4-8-22-12-13-28(19-29(22)23-9-5-10-25(31)18-23)35-27-16-14-26(15-17-27)34-20-24-7-2-3-11-30(24)32;1-22(32)8-5-11-24-16-17-29(20-30(24)25-12-6-13-26(31)18-25)34-28-15-7-14-27(19-28)33-21-23-9-3-2-4-10-23;1-18(27)7-4-8-19-12-13-22(28-23-11-6-14-25(2,3)17-23)16-24(19)20-9-5-10-21(26)15-20;1-15(25)5-2-6-16-11-12-19(28-22-10-4-9-21(26)23(22)27)14-20(16)17-7-3-8-18(24)13-17;1-16(25)5-2-6-17-11-12-22(27-21-10-4-9-20(26)14-21)15-23(17)18-7-3-8-19(24)13-18;1-17(25)7-5-8-18-13-14-22(26-21-11-3-2-4-12-21)16-23(18)19-9-6-10-20(24)15-19/h3*2-3,5,7,9-13,18-19,26-27H,4,6,8,14-17,20H2,1H3;2-4,6,9-10,12-13,16-18,20,27-28H,5,7-8,11,14-15,19,21H2,1H3;5-6,9-13,15-16,23H,4,7-8,14,17H2,1-3H3;3,7-8,11-14,21-23,26-27H,2,4-6,9-10H2,1H3;3,7-8,11-13,15,20-21,26H,2,4-6,9-10,14H2,1H3;3,6,9-11,13-16,21H,2,4-5,7-8,12H2,1H3 |
| InChIKey | UWCZQKRBVAHLLH-UHFFFAOYSA-N |
| XLogP | 52.36 |
| TPSA | 308.01 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3463.57 |
| LogP ≤ 5 | 52.36 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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