[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

C103H96F2O18 — CID 158647464

About [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (PubChem CID 158647464) has the molecular formula C103H96F2O18 and a molecular weight of 1659.88 g/mol. Its IUPAC name is [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
• PubChem CID: 158647464
• Molecular Formula: C103H96F2O18
• Molecular Weight: 1659.88 g/mol
• Exact Mass: 1658.66
• IUPAC Name: [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC1CCc2ccc(-c3ccc(-c4cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c4)c(F)c3)cc21.C=C(C)C(=O)OCC1CCc2ccc(-c3ccc(-c4cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c4)cc3F)cc21.C=CC(=O)OCC1CCc2ccc(-c3cc(C)c(-c4cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c4)cc3C)cc21
• InChI: InChI=1S/C35H34O6.2C34H31FO6/c1-8-33(36)39-19-26-12-10-24-9-11-25(17-32(24)26)30-13-23(7)31(14-22(30)6)27-15-28(40-34(37)20(2)3)18-29(16-27)41-35(38)21(4)5;1-19(2)32(36)39-18-25-10-8-22-7-9-24(15-30(22)25)29-12-11-23(16-31(29)35)26-13-27(40-33(37)20(3)4)17-28(14-26)41-34(38)21(5)6;1-19(2)32(36)39-18-25-10-8-22-7-9-23(15-30(22)25)24-11-12-29(31(35)16-24)26-13-27(40-33(37)20(3)4)17-28(14-26)41-34(38)21(5)6/h8-9,11,13-18,26H,1-2,4,10,12,19H2,3,5-7H3;2*7,9,11-17,25H,1,3,5,8,10,18H2,2,4,6H3
• InChIKey: IBDIMHQAZYRTTN-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 236.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.88
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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 [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?

The IUPAC name of [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (CID 158647464) is [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCc2ccc(-c3ccc(-c4cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c4)c(F)c3)cc21.C=C(C)C(=O)OCC1CCc2ccc(-c3ccc(-c4cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c4)cc3F)cc21.C=CC(=O)OCC1CCc2ccc(-c3cc(C)c(-c4cc(OC(=O)C(=C)C)cc(OC(=O)C(=C)C)c4)cc3C)cc21.

What is the InChIKey of [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?

The InChIKey is IBDIMHQAZYRTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O6.2C34H31FO6/c1-8-33(36)39-19-26-12-10-24-9-11-25(17-32(24)26)30-13-23(7)31(14-22(30)6)27-15-28(40-34(37)20(2)3)18-29(16-27)41-35(38)21(4)5;1-19(2)32(36)39-18-25-10-8-22-7-9-24(15-30(22)25)29-12-11-23(16-31(29)35)26-13-27(40-33(37)20(3)4)17-28(14-26)41-34(38)21(5)6;1-19(2)32(36)39-18-25-10-8-22-7-9-23(15-30(22)25)24-11-12-29(31(35)16-24)26-13-27(40-33(37)20(3)4)17-28(14-26)41-34(38)21(5)6/h8-9,11,13-18,26H,1-2,4,10,12,19H2,3,5-7H3;2*7,9,11-17,25H,1,3,5,8,10,18H2,2,4,6H3.

What are the key properties of [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?

[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 1659.88 g/mol, XLogP of 21.90, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[6-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-1-yl]methyl 2-methylprop-2-enoate;[3-[2,5-dimethyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158647464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).