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Murcko scaffold

1,3-Propanediol, 1,3-dibenzoate scaffold

41 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
21
Chemicals
41
With full pages
5
Scaffold SMILES

O=C(OCCCOC(=O)c1ccccc1)c1ccccc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the 1,3-Propanediol, 1,3-dibenzoate page
Murcko scaffold O=C(OCCCOC(=O)c1ccccc1)c1ccccc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 41 of 41 chemicals

1,3-Propanediol, 1,3-dibenzoate chemical structure, C17H16O4, CAS 2451-86-7
1,3-Propanediol, 1,3-dibenzoate
CAS 2451-86-7C17H16O4
Neopentyl glycol dibenzoate chemical structure, C19H20O4, CAS 4196-89-8
Neopentyl glycol dibenzoate
CAS 4196-89-8C19H20O4
Trimethylene glycol di-p-aminobenzoate chemical structure, C17H18N2O4, CAS 57609-64-0
Trimethylene glycol di-p-aminobenzoate
CAS 57609-64-0C17H18N2O4
1,3-Propanediol, 1,3-bis(4-nitrobenzoate) chemical structure, C17H14N2O8, CAS 57609-63-9
1,3-Propanediol, 1,3-bis(4-nitrobenzoate)
CAS 57609-63-9C17H14N2O8
Trimethylpentanediyl dibenzoate chemical structure, C22H26O4, CAS 68052-23-3
Trimethylpentanediyl dibenzoate
CAS 68052-23-3C22H26O4
1,2-Benzenedicarboxylic acid, 1,1'-(2-ethyl-2-(((2-methyl-1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) 2,2'-didecyl ester chemical structure, C46H66O10, CAS 68443-43-6
1,2-Benzenedicarboxylic acid, 1,1'-(2-ethyl-2-(((2-methyl-1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) 2,2'-didecyl ester
CAS 68443-43-6C46H66O10
Propane-1,3-diyl bis(4-chlorobenzoate) chemical structure, C17H14Cl2O4, CAS 57847-60-6
Propane-1,3-diyl bis(4-chlorobenzoate)
CAS 57847-60-6C17H14Cl2O4
1,3-Butylene glycol dibenzoate chemical structure, C18H18O4, CAS 2867-65-4
1,3-Butylene glycol dibenzoate
CAS 2867-65-4C18H18O4
3-(2-Hydroxy-5-prop-2-ynoxybenzoyl)oxypropyl 2-hydroxy-5-prop-2-ynoxybenzoate chemical structure, C23H20O8, CAS 84198-42-5
3-(2-Hydroxy-5-prop-2-ynoxybenzoyl)oxypropyl 2-hydroxy-5-prop-2-ynoxybenzoate
CAS 84198-42-5C23H20O8
[2,2-Bis(chloromethyl)-3-(2,4-dichlorobenzoyl)oxypropyl] 2,4-dichlorobenzoate chemical structure, C19H14Cl6O4, CAS 28456-77-1
[2,2-Bis(chloromethyl)-3-(2,4-dichlorobenzoyl)oxypropyl] 2,4-dichlorobenzoate
CAS 28456-77-1C19H14Cl6O4
[3-Chloro-2-[(4-chlorobenzoyl)oxymethyl]-2-(chloromethyl)propyl] 4-chlorobenzoate chemical structure, C19H16Cl4O4, CAS 7506-56-1
[3-Chloro-2-[(4-chlorobenzoyl)oxymethyl]-2-(chloromethyl)propyl] 4-chlorobenzoate
CAS 7506-56-1C19H16Cl4O4
Glyceryl dibenzoate chemical structure, C17H16O5, CAS 40593-13-3
Glyceryl dibenzoate
CAS 40593-13-3C17H16O5
2-Bromo-2-nitro-3-{[3-(trifluoromethyl)benzoyl]oxy}propyl 3-(trifluoromethyl)benzoate chemical structure, C19H12BrF6NO6, CAS 244081-64-9
2-Bromo-2-nitro-3-{[3-(trifluoromethyl)benzoyl]oxy}propyl 3-(trifluoromethyl)benzoate
CAS 244081-64-9C19H12BrF6NO6
Pentaerythritol, dibenzoate chemical structure, C19H20O6, CAS 76597-90-5
Pentaerythritol, dibenzoate
CAS 76597-90-5C19H20O6
1,3-Propanediyl disalicylate chemical structure, C17H16O6, CAS 84370-82-1
1,3-Propanediyl disalicylate
CAS 84370-82-1C17H16O6
2,2-Dimethyl-1,3-propanediyl disalicylate chemical structure, C19H20O6, CAS 69938-81-4
2,2-Dimethyl-1,3-propanediyl disalicylate
CAS 69938-81-4C19H20O6
Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)- chemical structure, C23H24N2O10, CAS 168416-68-0
Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-
CAS 168416-68-0C23H24N2O10
2-(Methoxymethoxy)-1,3-propanediyl dibenzoate chemical structure, C19H20O6, CAS 110874-21-0
2-(Methoxymethoxy)-1,3-propanediyl dibenzoate
CAS 110874-21-0C19H20O6
2,4-Pentanediol, dibenzoate chemical structure, C19H20O4, CAS 59694-10-9
2,4-Pentanediol, dibenzoate
CAS 59694-10-9C19H20O4
1,3-Propanediol, 2-((acetyloxy)methoxy)-, 1,3-dibenzoate chemical structure, C20H20O7, CAS 110874-22-1
1,3-Propanediol, 2-((acetyloxy)methoxy)-, 1,3-dibenzoate
CAS 110874-22-1C20H20O7
2-(Hydroxymethyl)-2-methylpropane-1,3-diyl dibenzoate chemical structure, C19H20O5, CAS 73008-58-9
2-(Hydroxymethyl)-2-methylpropane-1,3-diyl dibenzoate
CAS 73008-58-9C19H20O5
3,5-Heptanediol, dibenzoate chemical structure, C21H24O4, CAS 583036-30-0
3,5-Heptanediol, dibenzoate
CAS 583036-30-0C21H24O4
Pentane-2,4-diyl bis(4-butylbenzoate) chemical structure, C27H36O4, CAS 585564-32-5
Pentane-2,4-diyl bis(4-butylbenzoate)
CAS 585564-32-5C27H36O4
[2-(Benzoyloxymethyl)-2-methylpentyl] benzoate chemical structure, C21H24O4, CAS 102447-89-2
[2-(Benzoyloxymethyl)-2-methylpentyl] benzoate
CAS 102447-89-2C21H24O4