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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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

C183H174F6O54 — CID 158285221

IUPAC1,3-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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
SMILESC=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)CCC(=O)O2.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)Oc1ccc2oc(=O)ccc2c1.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
InChIInChI=1S/C13H12O4.C13H10O4.C13H12O4.4C13H12O3.5C12H10O4.C11H17F3O3.C11H10O4.C10H15F3O3/c2*1-8(2)13(15)16-10-4-5-11-9(7-10)3-6-12(14)17-11;1-8(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/h4-5,7H,1,3,6H2,2H3;3-7H,1H2,2H3;3,5,7H,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
InChIKeyGKRUZEUOCOHUOY-UHFFFAOYSA-N
MW3351.34 g/mol
LogP30.61
Rot. Bonds35

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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 158285221) has the molecular formula C183H174F6O54 and a molecular weight of 3351.34 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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 Name1,3-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 CID158285221
Molecular FormulaC183H174F6O54
Molecular Weight3351.34 g/mol
Exact Mass3349.08
IUPAC Name1,3-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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
SMILESC=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)CCC(=O)O2.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)Oc1ccc2oc(=O)ccc2c1.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
InChIInChI=1S/C13H12O4.C13H10O4.C13H12O4.4C13H12O3.5C12H10O4.C11H17F3O3.C11H10O4.C10H15F3O3/c2*1-8(2)13(15)16-10-4-5-11-9(7-10)3-6-12(14)17-11;1-8(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/h4-5,7H,1,3,6H2,2H3;3-7H,1H2,2H3;3,5,7H,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
InChIKeyGKRUZEUOCOHUOY-UHFFFAOYSA-N
XLogP30.61
TPSA728.17 Ų
H-Bond Donors2
H-Bond Acceptors54
Rotatable Bonds35
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003351.34
LogP ≤ 530.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1054

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'}

Analyze 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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-[[7-[4-[4-[2,2-Difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate
CID 58776300
7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate
CID 58776399
[7-[2,2-Difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate
CID 58776415
7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate
CID 89383313
8-Methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-3-(trifluoromethyl)benzo[b]xanthen-12-one;8-methyl-4-(trifluoromethyl)benzo[b]xanthen-12-one;2,5,7,17,19-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.016,20]tetracosa-1(13),3(11),4(8),9,14,16(20),21,23-octaen-12-one;2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one;5,7,12,19,21-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.018,22]tetracosa-1(13),3(11),4(8),9,14,16,18(22),23-octaen-2-one;5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one
CID 157058506
8,9-Difluorobenzo[a]xanthen-12-one;9,10-difluorobenzo[a]xanthen-12-one;10,11-difluorobenzo[a]xanthen-12-one;8-(trifluoromethyl)benzo[a]xanthen-12-one;9-(trifluoromethyl)benzo[a]xanthen-12-one;10-(trifluoromethyl)benzo[a]xanthen-12-one;11-(trifluoromethyl)benzo[a]xanthen-12-one;2,5,8-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),10,15,17,19,21-octaen-13-one;5,8,13-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17,19,21-octaen-2-one;13,17,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16(21)-octaen-2-one;2,5,7-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18,20-octaen-12-one;2,6,8-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14,16,18,20-octaen-12-one;5,7,12-trioxapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4(8),9,14,16,18,20-octaen-2-one
CID 157144857
bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-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;(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;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 157167202
[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylbutanoate;2,3-dihydro-1-benzofuran-3-yl 2,2-dimethylbutanoate;(2-hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-4-yl) 2-methylbutanoate;2-methylbutanoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2,2-dimethylbutanoate;(2-oxochromen-4-yl) 2,2-dimethylbutanoate;(2-oxo-3,4-dihydrochromen-4-yl) 2,2-dimethylbutanoate;(3-oxo-1,2-dihydroinden-1-yl) 2,2-dimethylbutanoate;(1,1,1,5,5-pentafluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylbutanoate
CID 157180362
4-[[7-[[2,6-Difluoro-4-[4-[4-[4-(7-oxonon-8-enyl)phenyl]butyl]phenyl]phenyl]-difluoromethoxy]-2,2-difluoro-1,3-benzodioxol-4-yl]oxy]butyl prop-2-enoate;[4-[2-[4-(2,2-difluoro-7-prop-2-enoyloxy-1,3-benzodioxol-4-yl)cyclohex-3-en-1-yl]-1,3-dioxan-5-yl]cyclohexyl]methyl prop-2-enoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 2,5-difluoro-4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenoxy]methyl]cyclohexyl]cyclohexane-1-carboxylate;[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)phenyl] 2,2-difluoro-7-[2-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)cyclohexyl]benzoyl]oxy-1,3-benzodioxole-4-carboxylate
CID 157183691
1-benzofuran-5-yl 2,2-dimethylbutanoate;2,3-dihydro-1-benzofuran-3-yl 2,2-dimethylbutanoate;2-methylbutanoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2,2-dimethylbutanoate;(3-oxo-1-benzofuran-5-yl) 2,2-dimethylbutanoate;(2-oxochromen-4-yl) 2,2-dimethylbutanoate;(2-oxo-3,4-dihydrochromen-4-yl) 2,2-dimethylbutanoate;(4-oxo-2,3-dihydrochromen-6-yl) 2,2-dimethylbutanoate;(3-oxo-1,2-dihydroinden-1-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylbutanoate
CID 157191641
CID 157255046
CID 157255046
[2,2-Difluoro-7-(4-prop-2-enoyloxybutoxy)-1,3-benzodioxol-4-yl] 2-methyl-4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxybenzoate;6-[[2,2-difluoro-7-[[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]cyclohexyl]methoxy]-1,3-benzodioxol-4-yl]oxy]hexyl prop-2-enoate;[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 6-(4-prop-2-enoyloxybutoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;[2,3-difluoro-4-[4-(6-prop-2-enoyloxyhexoxy)cyclohexyl]phenyl] 2,2-difluoro-7-(4-prop-2-enoyloxybutoxy)-1,3-benzodioxole-4-carboxylate
CID 157554864

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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 158285221) 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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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)CCC(=O)O2.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)Oc1ccc2oc(=O)ccc2c1.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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 GKRUZEUOCOHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4.C13H10O4.C13H12O4.4C13H12O3.5C12H10O4.C11H17F3O3.C11H10O4.C10H15F3O3/c2*1-8(2)13(15)16-10-4-5-11-9(7-10)3-6-12(14)17-11;1-8(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/h4-5,7H,1,3,6H2,2H3;3-7H,1H2,2H3;3,5,7H,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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 3351.34 g/mol, XLogP of 30.61, 35 rotatable bonds, 2 hydrogen bond donors, and 54 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-oxochromen-6-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-6-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 158285221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).