C160H200O23 — CID 159929641
1-[3-ethenyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]acetate;1-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]acetate;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-propan-2-ylphenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-prop-1-en-2-ylphenoxy]propan-2-one (PubChem CID 159929641) has the molecular formula C160H200O23 and a molecular weight of 2491.34 g/mol. Its IUPAC name is 1-[3-ethenyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]acetate;1-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]acetate;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-propan-2-ylphenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-prop-1-en-2-ylphenoxy]propan-2-one.
| Compound Name | 1-[3-ethenyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]acetate;1-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]acetate;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-propan-2-ylphenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-prop-1-en-2-ylphenoxy]propan-2-one |
|---|---|
| PubChem CID | 159929641 |
| Molecular Formula | C160H200O23 |
| Molecular Weight | 2491.34 g/mol |
| Exact Mass | 2489.45 |
| IUPAC Name | 1-[3-ethenyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]acetate;1-[3-ethyl-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenoxy]propan-2-one;ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]acetate;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-propan-2-ylphenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-[(E)-prop-1-enyl]phenoxy]propan-2-one;1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methyl-5-prop-1-en-2-ylphenoxy]propan-2-one |
| SMILES | C/C=C/c1cc(OCC(=O)OCC)cc(C)c1Cc1ccc(O)c(C(C)C)c1.C/C=C/c1cc(OCC(C)=O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.C=C(C)c1cc(OCC(C)=O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.C=Cc1cc(OCC(C)=O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.CC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C(C)C)c1.CCOC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(CC)c1.CCc1cc(OCC(C)=O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 |
| InChI | InChI=1S/C24H30O4.C23H30O4.C23H30O3.2C23H28O3.C22H28O3.C22H26O3/c1-6-8-19-14-20(28-15-24(26)27-7-2)11-17(5)22(19)13-18-9-10-23(25)21(12-18)16(3)4;1-6-18-13-19(27-14-23(25)26-7-2)10-16(5)21(18)12-17-8-9-22(24)20(11-17)15(3)4;2*1-14(2)20-12-19(26-13-17(6)24)9-16(5)22(20)11-18-7-8-23(25)21(10-18)15(3)4;1-6-7-19-13-20(26-14-17(5)24)10-16(4)22(19)12-18-8-9-23(25)21(11-18)15(2)3;2*1-6-18-12-19(25-13-16(5)23)9-15(4)21(18)11-17-7-8-22(24)20(10-17)14(2)3/h6,8-12,14,16,25H,7,13,15H2,1-5H3;8-11,13,15,24H,6-7,12,14H2,1-5H3;7-10,12,14-15,25H,11,13H2,1-6H3;7-10,12,15,25H,1,11,13H2,2-6H3;6-11,13,15,25H,12,14H2,1-5H3;7-10,12,14,24H,6,11,13H2,1-5H3;6-10,12,14,24H,1,11,13H2,2-5H3/b8-6+;;;;7-6+;; |
| InChIKey | NZLXREUVGFMHHD-LBSILEPASA-N |
| XLogP | 36.62 |
| TPSA | 344.17 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2491.34 |
| LogP ≤ 5 | 36.62 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |