C323H288F8O66 — CID 159856973
2-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 159856973) has the molecular formula C323H288F8O66 and a molecular weight of 5377.78 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate.
| Compound Name | 2-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate |
|---|---|
| PubChem CID | 159856973 |
| Molecular Formula | C323H288F8O66 |
| Molecular Weight | 5377.78 g/mol |
| Exact Mass | 5373.91 |
| IUPAC Name | 2-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[2-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[3-fluoro-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[2-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[3-fluoro-4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxoprop-1-enyl]phenyl]ethyl 2-methylprop-2-enoate |
| SMILES | C=C(C)C(=O)OCCc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1.C=C(C)C(=O)OCCc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OC(=O)C(=C)C)cc3)cc2)c(F)c1.C=C(C)C(=O)OCCc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCCc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OC(=O)C(=C)C)cc3)cc2)cc1F.C=C(C)C(=O)OCCc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OC(=O)C(=C)C)cc3)cc2F)cc1.C=C(C)C(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)c(F)c1.C=C(C)C(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1F.C=C(C)C(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)C(=C)C)cc2)c(F)c1.C=C(C)C(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)C(=C)C)cc2)cc1F |
| InChI | InChI=1S/6C31H27FO6.2C31H28O6.2C25H23FO6.C25H24O6/c1-20(2)30(34)36-18-17-22-5-9-24(10-6-22)27-15-7-23(19-28(27)32)8-16-29(33)37-25-11-13-26(14-12-25)38-31(35)21(3)4;1-20(2)30(34)36-18-17-23-7-15-27(28(32)19-23)24-9-5-22(6-10-24)8-16-29(33)37-25-11-13-26(14-12-25)38-31(35)21(3)4;1-20(2)30(34)36-18-17-24-10-11-25(19-28(24)32)23-8-5-22(6-9-23)7-16-29(33)37-26-12-14-27(15-13-26)38-31(35)21(3)4;1-20(2)30(34)36-18-17-25-7-5-22(19-28(25)32)6-16-29(33)37-26-12-8-23(9-13-26)24-10-14-27(15-11-24)38-31(35)21(3)4;1-20(2)30(34)36-18-17-22-5-7-23(8-6-22)25-10-9-24(28(32)19-25)11-16-29(33)37-26-12-14-27(15-13-26)38-31(35)21(3)4;1-20(2)30(34)36-18-17-22-5-6-25(28(32)19-22)11-16-29(33)37-26-12-7-23(8-13-26)24-9-14-27(15-10-24)38-31(35)21(3)4;1-21(2)30(33)35-20-19-24-7-12-26(13-8-24)25-10-5-23(6-11-25)9-18-29(32)36-27-14-16-28(17-15-27)37-31(34)22(3)4;1-21(2)30(33)35-20-19-24-7-5-23(6-8-24)9-18-29(32)36-27-14-10-25(11-15-27)26-12-16-28(17-13-26)37-31(34)22(3)4;1-16(2)24(28)30-14-13-19-7-5-18(15-22(19)26)6-12-23(27)31-20-8-10-21(11-9-20)32-25(29)17(3)4;1-16(2)24(28)30-14-13-18-5-6-19(22(26)15-18)7-12-23(27)31-20-8-10-21(11-9-20)32-25(29)17(3)4;1-17(2)24(27)29-16-15-20-7-5-19(6-8-20)9-14-23(26)30-21-10-12-22(13-11-21)31-25(28)18(3)4/h6*5-16,19H,1,3,17-18H2,2,4H3;2*5-18H,1,3,19-20H2,2,4H3;2*5-12,15H,1,3,13-14H2,2,4H3;5-14H,1,3,15-16H2,2,4H3/b2*16-8+;16-7+;16-6+;2*16-11+;2*18-9+;12-6+;12-7+;14-9+ |
| InChIKey | NQQOUIPYZKVLLV-XBYAUZCGSA-N |
| XLogP | 63.38 |
| TPSA | 867.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 66 |
| Rotatable Bonds | 107 |
| Heavy Atoms | 397 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5377.78 |
| LogP ≤ 5 | 63.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 66 |