C163H148O38 — CID 162006073
[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate (PubChem CID 162006073) has the molecular formula C163H148O38 and a molecular weight of 2714.94 g/mol. Its IUPAC name is [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate.
| Compound Name | [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate |
|---|---|
| PubChem CID | 162006073 |
| Molecular Formula | C163H148O38 |
| Molecular Weight | 2714.94 g/mol |
| Exact Mass | 2712.96 |
| IUPAC Name | [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate |
| SMILES | C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(/C=C/c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3C)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3CCC(CC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(CC)cc4C)ccc3c2)cc1 |
| InChI | InChI=1S/C31H26O7.2C27H24O7.C27H24O5.C26H22O7.C25H28O5/c1-4-21-6-15-28(20(3)16-21)38-31(34)25-8-7-24-18-27(14-11-23(24)17-25)37-30(33)22-9-12-26(13-10-22)35-19-36-29(32)5-2;1-4-19-6-15-24(18(3)16-19)34-27(30)21-9-13-23(14-10-21)33-26(29)20-7-11-22(12-8-20)31-17-32-25(28)5-2;1-4-19-6-8-20(9-7-19)26(29)33-23-14-15-24(18(3)16-23)34-27(30)21-10-12-22(13-11-21)31-17-32-25(28)5-2;1-3-20-5-7-21(8-6-20)9-10-22-11-15-25(16-12-22)32-27(29)23-13-17-24(18-14-23)30-19-31-26(28)4-2;1-3-18-5-7-19(8-6-18)25(28)32-22-13-15-23(16-14-22)33-26(29)20-9-11-21(12-10-20)30-17-31-24(27)4-2;1-3-18-5-7-19(8-6-18)20-9-15-23(16-10-20)30-25(27)21-11-13-22(14-12-21)28-17-29-24(26)4-2/h5-18H,2,4,19H2,1,3H3;2*5-16H,2,4,17H2,1,3H3;4-18H,2-3,19H2,1H3;4-16H,2-3,17H2,1H3;4,9-16,18-19H,2-3,5-8,17H2,1H3/b;;;10-9+;; |
| InChIKey | YSVUUDIHXDSGRX-DIIQHUHWSA-N |
| XLogP | 32.45 |
| TPSA | 476.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2714.94 |
| LogP ≤ 5 | 32.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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