1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
C130H122F4N6O36 — CID 158051304
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCCc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OCC(O)O2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)OC(O)CO2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)OC(O)CO2
InChIInChI=1S/C21H23NO5.C20H20O5.C18H14F3NO5.C18H17NO6.2C18H17NO5.C17H14FNO5/c1-22(2)12-15-5-3-4-6-16(15)18(24)9-8-17(23)14-7-10-19-20(11-14)27-21(25)13-26-19;1-2-13-5-3-4-6-15(13)17(22)9-8-16(21)14-7-10-18-19(11-14)25-20(23)12-24-18;19-18(20,21)11-2-1-7-22-17(11)13(24)5-4-12(23)10-3-6-14-15(8-10)27-16(25)9-26-14;1-23-15-3-2-8-19-18(15)13(21)6-5-12(20)11-4-7-14-16(9-11)25-17(22)10-24-14;1-11-3-2-8-19-18(11)14(21)6-5-13(20)12-4-7-15-16(9-12)23-10-17(22)24-15;1-11-3-2-8-19-18(11)14(21)6-5-13(20)12-4-7-15-16(9-12)24-17(22)10-23-15;18-11-2-1-7-19-17(11)13(21)5-4-12(20)10-3-6-14-15(8-10)24-16(22)9-23-14/h3-7,10-11,21,25H,8-9,12-13H2,1-2H3;3-7,10-11,20,23H,2,8-9,12H2,1H3;1-3,6-8,16,25H,4-5,9H2;2-4,7-9,17,22H,5-6,10H2,1H3;2*2-4,7-9,17,22H,5-6,10H2,1H3;1-3,6-8,16,22H,4-5,9H2
InChIKeyFJNCUIXGWTZHLF-UHFFFAOYSA-N
MW2420.40 g/mol
LogP17.74
Rot. Bonds39
About 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 158051304) has the molecular formula C130H122F4N6O36 and a molecular weight of 2420.40 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.
Molecular Properties
| Compound Name | 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione |
|---|---|
| PubChem CID | 158051304 |
| Molecular Formula | C130H122F4N6O36 |
| Molecular Weight | 2420.40 g/mol |
| Exact Mass | 2418.78 |
| IUPAC Name | 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione |
| SMILES | CCc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OCC(O)O2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)OC(O)CO2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)OC(O)CO2 |
| InChI | InChI=1S/C21H23NO5.C20H20O5.C18H14F3NO5.C18H17NO6.2C18H17NO5.C17H14FNO5/c1-22(2)12-15-5-3-4-6-16(15)18(24)9-8-17(23)14-7-10-19-20(11-14)27-21(25)13-26-19;1-2-13-5-3-4-6-15(13)17(22)9-8-16(21)14-7-10-18-19(11-14)25-20(23)12-24-18;19-18(20,21)11-2-1-7-22-17(11)13(24)5-4-12(23)10-3-6-14-15(8-10)27-16(25)9-26-14;1-23-15-3-2-8-19-18(15)13(21)6-5-12(20)11-4-7-14-16(9-11)25-17(22)10-24-14;1-11-3-2-8-19-18(11)14(21)6-5-13(20)12-4-7-15-16(9-12)23-10-17(22)24-15;1-11-3-2-8-19-18(11)14(21)6-5-13(20)12-4-7-15-16(9-12)24-17(22)10-23-15;18-11-2-1-7-19-17(11)13(21)5-4-12(20)10-3-6-14-15(8-10)24-16(22)9-23-14/h3-7,10-11,21,25H,8-9,12-13H2,1-2H3;3-7,10-11,20,23H,2,8-9,12H2,1H3;1-3,6-8,16,25H,4-5,9H2;2-4,7-9,17,22H,5-6,10H2,1H3;2*2-4,7-9,17,22H,5-6,10H2,1H3;1-3,6-8,16,22H,4-5,9H2 |
| InChIKey | FJNCUIXGWTZHLF-UHFFFAOYSA-N |
| XLogP | 17.74 |
| TPSA | 586.73 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 176 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2420.40 |
| LogP ≤ 5 | 17.74 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 42 |
Frequently Asked Questions
What is the IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 158051304) is 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is CCc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(O)CO2.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OCC(O)O2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)OC(O)CO2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)OC(O)CO2.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The InChIKey is FJNCUIXGWTZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5.C20H20O5.C18H14F3NO5.C18H17NO6.2C18H17NO5.C17H14FNO5/c1-22(2)12-15-5-3-4-6-16(15)18(24)9-8-17(23)14-7-10-19-20(11-14)27-21(25)13-26-19;1-2-13-5-3-4-6-15(13)17(22)9-8-16(21)14-7-10-18-19(11-14)25-20(23)12-24-18;19-18(20,21)11-2-1-7-22-17(11)13(24)5-4-12(23)10-3-6-14-15(8-10)27-16(25)9-26-14;1-23-15-3-2-8-19-18(15)13(21)6-5-12(20)11-4-7-14-16(9-11)25-17(22)10-24-14;1-11-3-2-8-19-18(11)14(21)6-5-13(20)12-4-7-15-16(9-12)23-10-17(22)24-15;1-11-3-2-8-19-18(11)14(21)6-5-13(20)12-4-7-15-16(9-12)24-17(22)10-23-15;18-11-2-1-7-19-17(11)13(21)5-4-12(20)10-3-6-14-15(8-10)24-16(22)9-23-14/h3-7,10-11,21,25H,8-9,12-13H2,1-2H3;3-7,10-11,20,23H,2,8-9,12H2,1H3;1-3,6-8,16,25H,4-5,9H2;2-4,7-9,17,22H,5-6,10H2,1H3;2*2-4,7-9,17,22H,5-6,10H2,1H3;1-3,6-8,16,22H,4-5,9H2.
What are the key properties of 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 2420.40 g/mol, XLogP of 17.74, 39 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 158051304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158051304 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.