2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate

C159H129N3O51S4 — CID 160641398

IUPAC2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate
SMILESC=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)Oc1ccc2[nH]c(=O)oc2c1.C=C(C)C(=O)Oc1ccc2oc(=O)[nH]c2c1.C=C(C)C(=O)Oc1ccc2oc(=O)sc2c1.C=C(C)C(=O)Oc1ccc2sc(=O)oc2c1.C=C(C)C(=O)Oc1cccc2[nH]c(=O)oc12.C=C(C)C(=O)Oc1cccc2c1CC(=O)O2.C=C(C)C(=O)Oc1cccc2oc(=O)sc12.C=C(C)C(=O)Oc1cccc2sc(=O)oc12.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C13H12O4.C13H12O3.2C12H10O4.C12H12O3.3C11H9NO4.4C11H8O4S.C10H6O3.C10H8O2/c1-8(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)16-10-5-3-4-9-8(10)6-11(13)15-9;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-6(2)10(13)15-7-3-4-9-8(5-7)12-11(14)16-9;1-6(2)10(13)15-7-3-4-8-9(5-7)16-11(14)12-8;1-6(2)10(13)15-8-5-3-4-7-9(8)16-11(14)12-7;1-6(2)10(12)14-7-3-4-9-8(5-7)15-11(13)16-9;1-6(2)10(12)14-7-3-4-8-9(5-7)16-11(13)15-8;1-6(2)10(12)14-7-4-3-5-8-9(7)15-11(13)16-8;1-6(2)10(12)14-7-4-3-5-8-9(7)16-11(13)15-8;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-2-7-3-4-8-6-12-10(11)9(8)5-7/h3-6,11H,1,7H2,2H3;3-6,12H,1,7H2,2H3;3-5H,1,6H2,2H3;3-6,10H,1H2,2H3;3-6,11H,1,7H2,2H3;3*3-5H,1H2,2H3,(H,12,14);4*3-5H,1H2,2H3;2-5H,1H2;2-5H,1,6H2
InChIKeyRJFKXHPHBUUQRM-UHFFFAOYSA-N
MW3026.02 g/mol
LogP28.02
Rot. Bonds26

About 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate

2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate (PubChem CID 160641398) has the molecular formula C159H129N3O51S4 and a molecular weight of 3026.02 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate
PubChem CID160641398
Molecular FormulaC159H129N3O51S4
Molecular Weight3026.02 g/mol
Exact Mass3023.65
IUPAC Name2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate
SMILESC=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)Oc1ccc2[nH]c(=O)oc2c1.C=C(C)C(=O)Oc1ccc2oc(=O)[nH]c2c1.C=C(C)C(=O)Oc1ccc2oc(=O)sc2c1.C=C(C)C(=O)Oc1ccc2sc(=O)oc2c1.C=C(C)C(=O)Oc1cccc2[nH]c(=O)oc12.C=C(C)C(=O)Oc1cccc2c1CC(=O)O2.C=C(C)C(=O)Oc1cccc2oc(=O)sc12.C=C(C)C(=O)Oc1cccc2sc(=O)oc12.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C13H12O4.C13H12O3.2C12H10O4.C12H12O3.3C11H9NO4.4C11H8O4S.C10H6O3.C10H8O2/c1-8(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)16-10-5-3-4-9-8(10)6-11(13)15-9;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-6(2)10(13)15-7-3-4-9-8(5-7)12-11(14)16-9;1-6(2)10(13)15-7-3-4-8-9(5-7)16-11(14)12-8;1-6(2)10(13)15-8-5-3-4-7-9(8)16-11(14)12-7;1-6(2)10(12)14-7-3-4-9-8(5-7)15-11(13)16-9;1-6(2)10(12)14-7-3-4-8-9(5-7)16-11(13)15-8;1-6(2)10(12)14-7-4-3-5-8-9(7)15-11(13)16-8;1-6(2)10(12)14-7-4-3-5-8-9(7)16-11(13)15-8;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-2-7-3-4-8-6-12-10(11)9(8)5-7/h3-6,11H,1,7H2,2H3;3-6,12H,1,7H2,2H3;3-5H,1,6H2,2H3;3-6,10H,1H2,2H3;3-6,11H,1,7H2,2H3;3*3-5H,1H2,2H3,(H,12,14);4*3-5H,1H2,2H3;2-5H,1H2;2-5H,1,6H2
InChIKeyRJFKXHPHBUUQRM-UHFFFAOYSA-N
XLogP28.02
TPSA749.31 Ų
H-Bond Donors3
H-Bond Acceptors55
Rotatable Bonds26
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003026.02
LogP ≤ 528.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_A(15)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate (CID 160641398) is 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-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)Oc1ccc2[nH]c(=O)oc2c1.C=C(C)C(=O)Oc1ccc2oc(=O)[nH]c2c1.C=C(C)C(=O)Oc1ccc2oc(=O)sc2c1.C=C(C)C(=O)Oc1ccc2sc(=O)oc2c1.C=C(C)C(=O)Oc1cccc2[nH]c(=O)oc12.C=C(C)C(=O)Oc1cccc2c1CC(=O)O2.C=C(C)C(=O)Oc1cccc2oc(=O)sc12.C=C(C)C(=O)Oc1cccc2sc(=O)oc12.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?
The InChIKey is RJFKXHPHBUUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4.C13H12O3.2C12H10O4.C12H12O3.3C11H9NO4.4C11H8O4S.C10H6O3.C10H8O2/c1-8(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)16-10-5-3-4-9-8(10)6-11(13)15-9;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-6(2)10(13)15-7-3-4-9-8(5-7)12-11(14)16-9;1-6(2)10(13)15-7-3-4-8-9(5-7)16-11(14)12-8;1-6(2)10(13)15-8-5-3-4-7-9(8)16-11(14)12-7;1-6(2)10(12)14-7-3-4-9-8(5-7)15-11(13)16-9;1-6(2)10(12)14-7-3-4-8-9(5-7)16-11(13)15-8;1-6(2)10(12)14-7-4-3-5-8-9(7)15-11(13)16-8;1-6(2)10(12)14-7-4-3-5-8-9(7)16-11(13)15-8;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-2-7-3-4-8-6-12-10(11)9(8)5-7/h3-6,11H,1,7H2,2H3;3-6,12H,1,7H2,2H3;3-5H,1,6H2,2H3;3-6,10H,1H2,2H3;3-6,11H,1,7H2,2H3;3*3-5H,1H2,2H3,(H,12,14);4*3-5H,1H2,2H3;2-5H,1H2;2-5H,1,6H2.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate?
2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate has a molecular weight of 3026.02 g/mol, XLogP of 28.02, 26 rotatable bonds, 3 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-5-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-6-yl) 2-methylprop-2-enoate;(2-oxo-1,3-benzoxathiol-7-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1,3-benzoxazol-7-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 160641398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).