1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane

C146H146F8O43 — CID 161303296

About 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane

1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane (PubChem CID 161303296) has the molecular formula C146H146F8O43 and a molecular weight of 2740.71 g/mol. Its IUPAC name is 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane.

Molecular Properties

• Compound Name: 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane
• PubChem CID: 161303296
• Molecular Formula: C146H146F8O43
• Molecular Weight: 2740.71 g/mol
• Exact Mass: 2738.91
• IUPAC Name: 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane
• SMILES: C.COc1cc(C(=O)CCC(=O)c2ccc(C)cc2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2ccc(C)cc2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2cccc(C(F)(F)F)c2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2cccc(F)c2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2ccccc2C(F)(F)F)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2ccccc2F)c(OC)c2c1OCCO2.COc1ccccc1C(=O)CCC(=O)c1cc(OC)c2c(c1OC)OCCO2
• InChI: InChI=1S/2C21H19F3O6.C21H22O7.2C21H22O6.2C20H19FO6.CH4/c1-27-17-11-14(18(28-2)20-19(17)29-8-9-30-20)16(26)7-6-15(25)12-4-3-5-13(10-12)21(22,23)24;1-27-17-11-13(18(28-2)20-19(17)29-9-10-30-20)16(26)8-7-15(25)12-5-3-4-6-14(12)21(22,23)24;1-24-17-7-5-4-6-13(17)15(22)8-9-16(23)14-12-18(25-2)20-21(19(14)26-3)28-11-10-27-20;2*1-13-4-6-14(7-5-13)16(22)8-9-17(23)15-12-18(24-2)20-21(19(15)25-3)27-11-10-26-20;1-24-17-11-14(18(25-2)20-19(17)26-8-9-27-20)16(23)7-6-15(22)12-4-3-5-13(21)10-12;1-24-17-11-13(18(25-2)20-19(17)26-9-10-27-20)16(23)8-7-15(22)12-5-3-4-6-14(12)21;/h3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-7,12H,8-11H2,1-3H3;2*4-7,12H,8-11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;1H4
• InChIKey: VHXFXYDCVOQFHD-UHFFFAOYSA-N
• XLogP: 26.82
• TPSA: 506.65 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 50
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.71
LogP ≤ 5	26.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane?

The IUPAC name of 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane (CID 161303296) is 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane.

What is the SMILES notation for 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane?

The canonical SMILES for 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane is C.COc1cc(C(=O)CCC(=O)c2ccc(C)cc2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2ccc(C)cc2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2cccc(C(F)(F)F)c2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2cccc(F)c2)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2ccccc2C(F)(F)F)c(OC)c2c1OCCO2.COc1cc(C(=O)CCC(=O)c2ccccc2F)c(OC)c2c1OCCO2.COc1ccccc1C(=O)CCC(=O)c1cc(OC)c2c(c1OC)OCCO2.

What is the InChIKey of 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane?

The InChIKey is VHXFXYDCVOQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19F3O6.C21H22O7.2C21H22O6.2C20H19FO6.CH4/c1-27-17-11-14(18(28-2)20-19(17)29-8-9-30-20)16(26)7-6-15(25)12-4-3-5-13(10-12)21(22,23)24;1-27-17-11-13(18(28-2)20-19(17)29-9-10-30-20)16(26)8-7-15(25)12-5-3-4-6-14(12)21(22,23)24;1-24-17-7-5-4-6-13(17)15(22)8-9-16(23)14-12-18(25-2)20-21(19(14)26-3)28-11-10-27-20;2*1-13-4-6-14(7-5-13)16(22)8-9-17(23)15-12-18(24-2)20-21(19(15)25-3)27-11-10-26-20;1-24-17-11-14(18(25-2)20-19(17)26-8-9-27-20)16(23)7-6-15(22)12-4-3-5-13(21)10-12;1-24-17-11-13(18(25-2)20-19(17)26-9-10-27-20)16(23)8-7-15(22)12-5-3-4-6-14(12)21;/h3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-7,12H,8-11H2,1-3H3;2*4-7,12H,8-11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;1H4.

What are the key properties of 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane?

1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane has a molecular weight of 2740.71 g/mol, XLogP of 26.82, 50 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;bis(1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;methane is sourced from PubChem (CID 161303296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).