[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate

C172H162F2O30 — CID 161337899

About [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate

[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 161337899) has the molecular formula C172H162F2O30 and a molecular weight of 2747.15 g/mol. Its IUPAC name is [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 161337899
• Molecular Formula: C172H162F2O30
• Molecular Weight: 2747.15 g/mol
• Exact Mass: 2745.11
• IUPAC Name: [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC1CCc2cc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)c(F)c3)ccc21.C=C(C)C(=O)OCC1CCc2cc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3F)ccc21.C=CC(=O)OCC1CCc2cc(-c3cc(C)c(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3C)ccc21.C=CC(=O)OCC1CCc2cc(-c3cc(C)c(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3C)ccc21.C=CC(=O)OCC1CCc2cc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)c(C)c3)ccc21
• InChI: InChI=1S/2C35H34O6.2C34H31FO6.C34H32O6/c2*1-8-33(36)39-19-26-10-9-24-17-25(11-13-28(24)26)30-15-23(7)31(16-22(30)6)29-14-12-27(40-34(37)20(2)3)18-32(29)41-35(38)21(4)5;1-19(2)32(36)39-18-25-8-7-24-15-22(9-12-27(24)25)23-10-13-28(30(35)16-23)29-14-11-26(40-33(37)20(3)4)17-31(29)41-34(38)21(5)6;1-19(2)32(36)39-18-25-8-7-22-15-23(9-12-27(22)25)28-13-10-24(16-30(28)35)29-14-11-26(40-33(37)20(3)4)17-31(29)41-34(38)21(5)6;1-7-32(35)38-19-26-9-8-25-17-24(11-14-29(25)26)23-10-13-28(22(6)16-23)30-15-12-27(39-33(36)20(2)3)18-31(30)40-34(37)21(4)5/h2*8,11-18,26H,1-2,4,9-10,19H2,3,5-7H3;2*9-17,25H,1,3,5,7-8,18H2,2,4,6H3;7,10-18,26H,1-2,4,8-9,19H2,3,5-6H3
• InChIKey: VMGWWDIYPJCWDF-UHFFFAOYSA-N
• XLogP: 36.31
• TPSA: 394.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 45
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.15
LogP ≤ 5	36.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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 [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate (CID 161337899) is [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCc2cc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)c(F)c3)ccc21.C=C(C)C(=O)OCC1CCc2cc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3F)ccc21.C=CC(=O)OCC1CCc2cc(-c3cc(C)c(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3C)ccc21.C=CC(=O)OCC1CCc2cc(-c3cc(C)c(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3C)ccc21.C=CC(=O)OCC1CCc2cc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)c(C)c3)ccc21.

What is the InChIKey of [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

The InChIKey is VMGWWDIYPJCWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H34O6.2C34H31FO6.C34H32O6/c2*1-8-33(36)39-19-26-10-9-24-17-25(11-13-28(24)26)30-15-23(7)31(16-22(30)6)29-14-12-27(40-34(37)20(2)3)18-32(29)41-35(38)21(4)5;1-19(2)32(36)39-18-25-8-7-24-15-22(9-12-27(24)25)23-10-13-28(30(35)16-23)29-14-11-26(40-33(37)20(3)4)17-31(29)41-34(38)21(5)6;1-19(2)32(36)39-18-25-8-7-22-15-23(9-12-27(22)25)28-13-10-24(16-30(28)35)29-14-11-26(40-33(37)20(3)4)17-31(29)41-34(38)21(5)6;1-7-32(35)38-19-26-9-8-25-17-24(11-14-29(25)26)23-10-13-28(22(6)16-23)30-15-12-27(39-33(36)20(2)3)18-31(30)40-34(37)21(4)5/h2*8,11-18,26H,1-2,4,9-10,19H2,3,5-7H3;2*9-17,25H,1,3,5,7-8,18H2,2,4,6H3;7,10-18,26H,1-2,4,8-9,19H2,3,5-6H3.

What are the key properties of [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 2747.15 g/mol, XLogP of 36.31, 45 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[5-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[3-(2-methylprop-2-enoyloxy)-4-[2-methyl-4-[1-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 161337899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).