C160H131F7O28 — CID 158186258
2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate (PubChem CID 158186258) has the molecular formula C160H131F7O28 and a molecular weight of 2634.77 g/mol. Its IUPAC name is 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate.
| Compound Name | 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate |
|---|---|
| PubChem CID | 158186258 |
| Molecular Formula | C160H131F7O28 |
| Molecular Weight | 2634.77 g/mol |
| Exact Mass | 2632.87 |
| IUPAC Name | 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate |
| SMILES | C=C(C)C(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1F.C=CC(=O)Oc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3c(F)c(OC(=O)C=C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F |
| InChI | InChI=1S/C26H25FO4.C25H23FO4.2C23H19FO4.C22H17FO4.C21H15FO4.C20H13FO4/c1-16(2)25(28)30-13-11-18-5-8-21-20(15-18)7-10-23-22(21)9-6-19(24(23)27)12-14-31-26(29)17(3)4;1-4-23(27)29-13-11-17-5-8-20-19(15-17)7-10-22-21(20)9-6-18(24(22)26)12-14-30-25(28)16(2)3;1-4-21(25)28-17-7-10-18-16(13-17)6-9-20-19(18)8-5-15(22(20)24)11-12-27-23(26)14(2)3;1-4-21(25)27-12-11-15-5-8-19-18-10-7-17(28-23(26)14(2)3)13-16(18)6-9-20(19)22(15)24;1-3-20(24)26-12-11-14-5-8-18-17-10-7-16(27-21(25)4-2)13-15(17)6-9-19(18)22(14)23;1-4-19(23)26-18-10-9-16-15-8-6-14(25-21(24)12(2)3)11-13(15)5-7-17(16)20(18)22;1-3-18(22)24-13-6-8-14-12(11-13)5-7-16-15(14)9-10-17(20(16)21)25-19(23)4-2/h5-10,15H,1,3,11-14H2,2,4H3;4-10,15H,1-2,11-14H2,3H3;2*4-10,13H,1-2,11-12H2,3H3;3-10,13H,1-2,11-12H2;4-11H,1-2H2,3H3;3-11H,1-2H2 |
| InChIKey | FZEDJUJPMDRUHS-UHFFFAOYSA-N |
| XLogP | 33.81 |
| TPSA | 368.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2634.77 |
| LogP ≤ 5 | 33.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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