C160H248O20 — CID 158460153
2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]butyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]propyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol (PubChem CID 158460153) has the molecular formula C160H248O20 and a molecular weight of 2491.72 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]butyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]propyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol.
| Compound Name | 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]butyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]propyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol |
|---|---|
| PubChem CID | 158460153 |
| Molecular Formula | C160H248O20 |
| Molecular Weight | 2491.72 g/mol |
| Exact Mass | 2489.84 |
| IUPAC Name | 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]butyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol;2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-(2-methylbutan-2-yl)phenyl]propyl]-4-(3-hydroxypropyl)-6-(2-methylbutan-2-yl)phenol |
| SMILES | CCC(C)(C)c1cc(CCCO)cc(C(C)c2cc(CCCO)cc(C(C)(C)CC)c2O)c1O.CCC(C)(C)c1cc(CCCO)cc(C(c2cc(CCCO)cc(C(C)(C)CC)c2O)C(C)C)c1O.CCC(C)(C)c1cc(CCCO)cc(C(c2cc(CCCO)cc(C(C)(C)CC)c2O)C2CCCCC2)c1O.CCC(c1cc(CCCO)cc(C(C)(C)CC)c1O)c1cc(CCCO)cc(C(C)(C)CC)c1O.CCCC(c1cc(CCCO)cc(C(C)(C)CC)c1O)c1cc(CCCO)cc(C(C)(C)CC)c1O |
| InChI | InChI=1S/C35H54O4.2C32H50O4.C31H48O4.C30H46O4/c1-7-34(3,4)29-22-24(14-12-18-36)20-27(32(29)38)31(26-16-10-9-11-17-26)28-21-25(15-13-19-37)23-30(33(28)39)35(5,6)8-2;1-9-31(5,6)26-19-22(13-11-15-33)17-24(29(26)35)28(21(3)4)25-18-23(14-12-16-34)20-27(30(25)36)32(7,8)10-2;1-8-13-24(25-18-22(14-11-16-33)20-27(29(25)35)31(4,5)9-2)26-19-23(15-12-17-34)21-28(30(26)36)32(6,7)10-3;1-8-23(24-17-21(13-11-15-32)19-26(28(24)34)30(4,5)9-2)25-18-22(14-12-16-33)20-27(29(25)35)31(6,7)10-3;1-8-29(4,5)25-18-21(12-10-14-31)16-23(27(25)33)20(3)24-17-22(13-11-15-32)19-26(28(24)34)30(6,7)9-2/h20-23,26,31,36-39H,7-19H2,1-6H3;17-21,28,33-36H,9-16H2,1-8H3;18-21,24,33-36H,8-17H2,1-7H3;17-20,23,32-35H,8-16H2,1-7H3;16-20,31-34H,8-15H2,1-7H3 |
| InChIKey | HFBLSRQEEPLFAB-UHFFFAOYSA-N |
| XLogP | 35.74 |
| TPSA | 404.60 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2491.72 |
| LogP ≤ 5 | 35.74 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 20 |