C225H184O49 — CID 157198874
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate (PubChem CID 157198874) has the molecular formula C225H184O49 and a molecular weight of 3671.90 g/mol. Its IUPAC name is [4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate.
| Compound Name | [4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate |
|---|---|
| PubChem CID | 157198874 |
| Molecular Formula | C225H184O49 |
| Molecular Weight | 3671.90 g/mol |
| Exact Mass | 3669.19 |
| IUPAC Name | [4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(2-methylprop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethoxy)phenyl] 6-[4-(prop-2-enoyloxymethoxy)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(2-methylprop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate;[4-(prop-2-enoyloxymethyl)phenyl] 6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalene-2-carboxylate |
| SMILES | C=C(C)C(=O)OCOc1ccc(-c2ccc3cc(C(=O)Oc4ccc(COC(=O)C(=C)C)cc4)ccc3c2)cc1.C=C(C)C(=O)OCOc1ccc(OC(=O)c2ccc3cc(-c4ccc(OCOC(=O)C(=C)C)cc4)ccc3c2)cc1.C=C(C)C(=O)OCc1ccc(OC(=O)c2ccc3cc(-c4ccc(COC(=O)C(=C)C)cc4)ccc3c2)cc1.C=CC(=O)OCOc1ccc(-c2ccc3cc(C(=O)Oc4ccc(OCOC(=O)C(=C)C)cc4)ccc3c2)cc1.C=CC(=O)OCOc1ccc(OC(=O)c2ccc3cc(-c4ccc(OCOC(=O)C=C)cc4)ccc3c2)cc1.C=CC(=O)OCc1ccc(OC(=O)c2ccc3cc(-c4ccc(COC(=O)C(=C)C)cc4)ccc3c2)cc1.C=CC(=O)OCc1ccc(OC(=O)c2ccc3cc(-c4ccc(COC(=O)C=C)cc4)ccc3c2)cc1 |
| InChI | InChI=1S/C33H28O8.C33H28O7.C33H28O6.C32H26O8.C32H26O6.C31H24O8.C31H24O6/c1-21(2)31(34)39-19-37-28-11-9-23(10-12-28)24-5-6-26-18-27(8-7-25(26)17-24)33(36)41-30-15-13-29(14-16-30)38-20-40-32(35)22(3)4;1-21(2)31(34)37-19-23-5-13-30(14-6-23)40-33(36)28-10-9-26-17-25(7-8-27(26)18-28)24-11-15-29(16-12-24)38-20-39-32(35)22(3)4;1-21(2)31(34)37-19-23-5-9-25(10-6-23)26-11-12-28-18-29(14-13-27(28)17-26)33(36)39-30-15-7-24(8-16-30)20-38-32(35)22(3)4;1-4-30(33)38-19-36-27-11-9-22(10-12-27)23-5-6-25-18-26(8-7-24(25)17-23)32(35)40-29-15-13-28(14-16-29)37-20-39-31(34)21(2)3;1-4-30(33)36-19-23-7-15-29(16-8-23)38-32(35)28-14-13-26-17-25(11-12-27(26)18-28)24-9-5-22(6-10-24)20-37-31(34)21(2)3;1-3-29(32)37-19-35-26-11-9-21(10-12-26)22-5-6-24-18-25(8-7-23(24)17-22)31(34)39-28-15-13-27(14-16-28)36-20-38-30(33)4-2;1-3-29(32)35-19-21-5-9-23(10-6-21)24-11-12-26-18-27(14-13-25(26)17-24)31(34)37-28-15-7-22(8-16-28)20-36-30(33)4-2/h5-18H,1,3,19-20H2,2,4H3;5-18H,1,3,19-20H2,2,4H3;5-18H,1,3,19-20H2,2,4H3;4-18H,1-2,19-20H2,3H3;4-18H,1-2,19-20H2,3H3;3-18H,1-2,19-20H2;3-18H,1-2,19-20H2 |
| InChIKey | AQOKBUPGZSBTSA-UHFFFAOYSA-N |
| XLogP | 45.27 |
| TPSA | 616.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 274 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3671.90 |
| LogP ≤ 5 | 45.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 49 |
| 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'} |
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