[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate

C66H58F2O12 — CID 159111833

About [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate

[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate (PubChem CID 159111833) has the molecular formula C66H58F2O12 and a molecular weight of 1081.17 g/mol. Its IUPAC name is [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
• PubChem CID: 159111833
• Molecular Formula: C66H58F2O12
• Molecular Weight: 1081.17 g/mol
• Exact Mass: 1080.39
• IUPAC Name: [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)cc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)c(F)c2)c1.C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)cc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)cc2F)c1
• InChI: InChI=1S/2C33H29FO6/c1-18(2)31(35)38-23-14-22(15-24(17-23)39-32(36)19(3)4)26-11-10-21(16-29(26)34)25-12-13-30(40-33(37)20(5)6)28-9-7-8-27(25)28;1-18(2)31(35)38-23-14-22(15-24(17-23)39-32(36)19(3)4)21-10-11-27(29(34)16-21)26-12-13-30(40-33(37)20(5)6)28-9-7-8-25(26)28/h2*10-17H,1,3,5,7-9H2,2,4,6H3
• InChIKey: KEPFGQCENACAAG-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.17
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?

The IUPAC name of [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate (CID 159111833) is [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate.

What is the SMILES notation for [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?

The canonical SMILES for [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)cc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)c(F)c2)c1.C=C(C)C(=O)Oc1cc(OC(=O)C(=C)C)cc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)cc2F)c1.

What is the InChIKey of [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?

The InChIKey is KEPFGQCENACAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H29FO6/c1-18(2)31(35)38-23-14-22(15-24(17-23)39-32(36)19(3)4)26-11-10-21(16-29(26)34)25-12-13-30(40-33(37)20(5)6)28-9-7-8-27(25)28;1-18(2)31(35)38-23-14-22(15-24(17-23)39-32(36)19(3)4)21-10-11-27(29(34)16-21)26-12-13-30(40-33(37)20(5)6)28-9-7-8-25(26)28/h2*10-17H,1,3,5,7-9H2,2,4,6H3.

What are the key properties of [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate?

[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate has a molecular weight of 1081.17 g/mol, XLogP of 14.19, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 159111833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).