1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate

C122H108O35 — CID 157471117

About 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate

1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate (PubChem CID 157471117) has the molecular formula C122H108O35 and a molecular weight of 2134.17 g/mol. Its IUPAC name is 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate
• PubChem CID: 157471117
• Molecular Formula: C122H108O35
• Molecular Weight: 2134.17 g/mol
• Exact Mass: 2132.67
• IUPAC Name: 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1C(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)c2ccccc21.C=C(C)C(=O)OC1COc2ccccc21.C=C(C)C(=O)Oc1cc(=O)oc2ccccc12.C=C(C)C(=O)Oc1ccc(O)cc1.C=C(C)C(=O)Oc1ccc2c(c1)C(=O)CCO2.C=C(C)C(=O)Oc1ccc2c(c1)C(=O)CO2.C=C(C)C(=O)Oc1ccc2ccoc2c1.C=C(C)C(=O)Oc1ccc2occc2c1
• InChI: InChI=1S/2C13H12O4.C13H10O4.C13H12O3.2C12H10O4.2C12H10O3.C12H12O3.C10H10O3/c1-8(2)13(15)17-9-3-4-12-10(7-9)11(14)5-6-16-12;2*1-8(2)13(15)17-11-7-12(14)16-10-6-4-3-5-9(10)11;1-8(2)13(15)16-12-7-11(14)9-5-3-4-6-10(9)12;1-7(2)12(14)16-8-3-4-11-9(5-8)10(13)6-15-11;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-10-3-4-11-9(7-10)5-6-14-11;1-8(2)12(13)15-10-4-3-9-5-6-14-11(9)7-10;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-4,7H,1,5-6H2,2H3;3-6,11H,1,7H2,2H3;3-7H,1H2,2H3;3-6,12H,1,7H2,2H3;3-5H,1,6H2,2H3;3-6,10H,1H2,2H3;2*3-7H,1H2,2H3;3-6,11H,1,7H2,2H3;3-6,11H,1H2,2H3
• InChIKey: BVAXFYQLAVPCFK-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 471.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.17
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?

The IUPAC name of 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate (CID 157471117) is 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate.

What is the SMILES notation for 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?

The canonical SMILES for 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1C(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)c2ccccc21.C=C(C)C(=O)OC1COc2ccccc21.C=C(C)C(=O)Oc1cc(=O)oc2ccccc12.C=C(C)C(=O)Oc1ccc(O)cc1.C=C(C)C(=O)Oc1ccc2c(c1)C(=O)CCO2.C=C(C)C(=O)Oc1ccc2c(c1)C(=O)CO2.C=C(C)C(=O)Oc1ccc2ccoc2c1.C=C(C)C(=O)Oc1ccc2occc2c1.

What is the InChIKey of 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?

The InChIKey is BVAXFYQLAVPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12O4.C13H10O4.C13H12O3.2C12H10O4.2C12H10O3.C12H12O3.C10H10O3/c1-8(2)13(15)17-9-3-4-12-10(7-9)11(14)5-6-16-12;2*1-8(2)13(15)17-11-7-12(14)16-10-6-4-3-5-9(10)11;1-8(2)13(15)16-12-7-11(14)9-5-3-4-6-10(9)12;1-7(2)12(14)16-8-3-4-11-9(5-8)10(13)6-15-11;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-10-3-4-11-9(7-10)5-6-14-11;1-8(2)12(13)15-10-4-3-9-5-6-14-11(9)7-10;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-4,7H,1,5-6H2,2H3;3-6,11H,1,7H2,2H3;3-7H,1H2,2H3;3-6,12H,1,7H2,2H3;3-5H,1,6H2,2H3;3-6,10H,1H2,2H3;2*3-7H,1H2,2H3;3-6,11H,1,7H2,2H3;3-6,11H,1H2,2H3.

What are the key properties of 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?

1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate has a molecular weight of 2134.17 g/mol, XLogP of 22.45, 20 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-5-yl 2-methylprop-2-enoate;1-benzofuran-6-yl 2-methylprop-2-enoate;2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(3-oxo-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 157471117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).