C215H195F3O50 — CID 159763072
2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate;(4-prop-2-enoyloxyphenyl) (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate (PubChem CID 159763072) has the molecular formula C215H195F3O50 and a molecular weight of 3635.87 g/mol. Its IUPAC name is 2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate;(4-prop-2-enoyloxyphenyl) (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate.
| Compound Name | 2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate;(4-prop-2-enoyloxyphenyl) (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate |
|---|---|
| PubChem CID | 159763072 |
| Molecular Formula | C215H195F3O50 |
| Molecular Weight | 3635.87 g/mol |
| Exact Mass | 3633.27 |
| IUPAC Name | 2-[4-[(E)-3-(3-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate;(4-prop-2-enoyloxyphenyl) (E)-3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoate |
| SMILES | C=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCCCOc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(CCOC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)c(CCC)c1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2F)cc1.C=CC(=O)Oc1ccc(/C=C/C(=O)Oc2ccc(CCOC(=O)C(=C)C)cc2)cc1F |
| InChI | InChI=1S/C33H32O7.C32H29FO6.C31H28O7.C25H24O6.C24H21FO6.C24H22O6.C23H19FO6.C23H20O6/c1-3-31(34)38-23-6-5-22-37-29-18-14-28(15-19-29)27-12-7-25(8-13-27)11-20-33(36)40-30-16-9-26(10-17-30)21-24-39-32(35)4-2;1-4-7-25-20-23(18-19-37-30(34)5-2)9-16-29(25)39-32(36)17-10-22-8-15-27(28(33)21-22)24-11-13-26(14-12-24)38-31(35)6-3;1-3-29(32)36-22-6-5-21-35-26-14-12-25(13-15-26)24-10-7-23(8-11-24)9-20-31(34)38-28-18-16-27(17-19-28)37-30(33)4-2;1-17(2)24(27)29-16-15-20-7-10-21(11-8-20)30-23(26)14-9-19-5-12-22(13-6-19)31-25(28)18(3)4;1-4-22(26)31-21-11-7-18(15-20(21)25)8-12-23(27)30-19-9-5-17(6-10-19)13-14-29-24(28)16(2)3;1-4-22(25)28-16-15-19-7-10-20(11-8-19)29-23(26)14-9-18-5-12-21(13-6-18)30-24(27)17(2)3;1-3-21(25)28-14-13-16-5-9-18(10-6-16)29-23(27)12-8-17-7-11-19(15-20(17)24)30-22(26)4-2;1-3-21(24)27-16-15-18-7-12-20(13-8-18)29-23(26)14-9-17-5-10-19(11-6-17)28-22(25)4-2/h3-4,7-20H,1-2,5-6,21-24H2;5-6,8-17,20-21H,2-4,7,18-19H2,1H3;3-4,7-20H,1-2,5-6,21-22H2;5-14H,1,3,15-16H2,2,4H3;4-12,15H,1-2,13-14H2,3H3;4-14H,1-2,15-16H2,3H3;3-12,15H,1-2,13-14H2;3-14H,1-2,15-16H2/b20-11+;17-10+;20-9+;14-9+;12-8+;14-9+;12-8+;14-9+ |
| InChIKey | NFDJUBBIMNJGFC-UMRUUUNRSA-N |
| XLogP | 38.69 |
| TPSA | 649.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 85 |
| Heavy Atoms | 268 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3635.87 |
| LogP ≤ 5 | 38.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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