1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate

C157H152F6O46 — CID 158455853

About 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate

1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate (PubChem CID 158455853) has the molecular formula C157H152F6O46 and a molecular weight of 2888.88 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate
• PubChem CID: 158455853
• Molecular Formula: C157H152F6O46
• Molecular Weight: 2888.88 g/mol
• Exact Mass: 2886.95
• IUPAC Name: 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)CC(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1ccc2c(c1)CC(=O)O2.C=C(C)C(=O)Oc1ccc2c(c1)CC=CO2.C=C(C)C(=O)Oc1ccc2c(c1)COC2=O.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)C2.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)CC2.C=C(C)C(=O)Oc1cccc2c1C(=O)CC2.C=C(C)C(=O)Oc1cccc2c1C(=O)OC2.C=C(C)C(=O)Oc1cccc2c1CC(=O)C2.C=C(C)C(=O)Oc1cccc2c1CCC2=O.C=C(C)C(=O)Oc1cccc2c1OC(=O)C2.C=C(C)C(=O)Oc1cccc2c1OCO2
• InChI: InChI=1S/C13H12O4.4C13H12O3.5C12H10O4.C11H17F3O3.C11H10O4.C10H15F3O3/c1-8(2)13(15)16-10-5-3-9-4-6-12(14)17-11(9)7-10;1-9(2)13(14)16-11-5-6-12-10(8-11)4-3-7-15-12;1-8(2)13(15)16-12-5-3-4-9-6-10(14)7-11(9)12;1-8(2)13(15)16-12-5-3-4-9-10(12)6-7-11(9)14;1-8(2)13(15)16-11-5-3-4-9-6-7-10(14)12(9)11;1-7(2)11(13)16-9-3-4-10-8(5-9)6-15-12(10)14;1-7(2)12(14)15-9-3-4-10-8(5-9)6-11(13)16-10;1-7(2)12(14)15-9-4-3-8-5-11(13)16-10(8)6-9;1-7(2)11(13)16-9-5-3-4-8-6-15-12(14)10(8)9;1-7(2)12(14)15-9-5-3-4-8-6-10(13)16-11(8)9;1-5-8(17-9(15)7(2)3)6-10(4,16)11(12,13)14;1-7(2)11(12)15-9-5-3-4-8-10(9)14-6-13-8;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13/h3,5,7H,1,4,6H2,2H3;3,5-8H,1,4H2,2H3;3*3-5H,1,6-7H2,2H3;2*3-5H,1,6H2,2H3;3-4,6H,1,5H2,2H3;2*3-5H,1,6H2,2H3;8,16H,2,5-6H2,1,3-4H3;3-5H,1,6H2,2H3;7,15H,1,5H2,2-4H3
• InChIKey: HEOCMMIYMFGVOV-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 619.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2888.88
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

The IUPAC name of 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate (CID 158455853) is 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate.

What is the SMILES notation for 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

The canonical SMILES for 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)CC(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1ccc2c(c1)CC(=O)O2.C=C(C)C(=O)Oc1ccc2c(c1)CC=CO2.C=C(C)C(=O)Oc1ccc2c(c1)COC2=O.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)C2.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)CC2.C=C(C)C(=O)Oc1cccc2c1C(=O)CC2.C=C(C)C(=O)Oc1cccc2c1C(=O)OC2.C=C(C)C(=O)Oc1cccc2c1CC(=O)C2.C=C(C)C(=O)Oc1cccc2c1CCC2=O.C=C(C)C(=O)Oc1cccc2c1OC(=O)C2.C=C(C)C(=O)Oc1cccc2c1OCO2.

What is the InChIKey of 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

The InChIKey is HEOCMMIYMFGVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4.4C13H12O3.5C12H10O4.C11H17F3O3.C11H10O4.C10H15F3O3/c1-8(2)13(15)16-10-5-3-9-4-6-12(14)17-11(9)7-10;1-9(2)13(14)16-11-5-6-12-10(8-11)4-3-7-15-12;1-8(2)13(15)16-12-5-3-4-9-6-10(14)7-11(9)12;1-8(2)13(15)16-12-5-3-4-9-10(12)6-7-11(9)14;1-8(2)13(15)16-11-5-3-4-9-6-7-10(14)12(9)11;1-7(2)11(13)16-9-3-4-10-8(5-9)6-15-12(10)14;1-7(2)12(14)15-9-3-4-10-8(5-9)6-11(13)16-10;1-7(2)12(14)15-9-4-3-8-5-11(13)16-10(8)6-9;1-7(2)11(13)16-9-5-3-4-8-6-15-12(14)10(8)9;1-7(2)12(14)15-9-5-3-4-8-6-10(13)16-11(8)9;1-5-8(17-9(15)7(2)3)6-10(4,16)11(12,13)14;1-7(2)11(12)15-9-5-3-4-8-10(9)14-6-13-8;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13/h3,5,7H,1,4,6H2,2H3;3,5-8H,1,4H2,2H3;3*3-5H,1,6-7H2,2H3;2*3-5H,1,6H2,2H3;3-4,6H,1,5H2,2H3;2*3-5H,1,6H2,2H3;8,16H,2,5-6H2,1,3-4H3;3-5H,1,6H2,2H3;7,15H,1,5H2,2-4H3.

What are the key properties of 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate has a molecular weight of 2888.88 g/mol, XLogP of 26.31, 31 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-4-yl 2-methylprop-2-enoate;4H-chromen-6-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(3-oxo-1H-2-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 158455853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).