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

C80H75FO18 — CID 161344966

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

[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 161344966) has the molecular formula C80H75FO18 and a molecular weight of 1343.46 g/mol. Its IUPAC name is [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 161344966
• Molecular Formula: C80H75FO18
• Molecular Weight: 1343.46 g/mol
• Exact Mass: 1342.49
• IUPAC Name: [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3OC(=O)C(=C)C)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3OC(=O)C(=C)C)cc1F.C=CC(=O)OC1CCc2c(-c3ccc(OC(=O)C(=C)C)cc3)ccc(OC(=O)C(=C)C)c21
• InChI: InChI=1S/C27H25FO6.C27H26O6.C26H24O6/c1-14(2)25(29)32-21-10-7-17(13-20(21)28)18-8-11-22(33-26(30)15(3)4)24-19(18)9-12-23(24)34-27(31)16(5)6;1-15(2)25(28)31-19-9-7-18(8-10-19)20-11-13-22(32-26(29)16(3)4)24-21(20)12-14-23(24)33-27(30)17(5)6;1-6-23(27)31-21-14-12-20-19(11-13-22(24(20)21)32-26(29)16(4)5)17-7-9-18(10-8-17)30-25(28)15(2)3/h7-8,10-11,13,23H,1,3,5,9,12H2,2,4,6H3;7-11,13,23H,1,3,5,12,14H2,2,4,6H3;6-11,13,21H,1-2,4,12,14H2,3,5H3
• InChIKey: VNECYEJOKJLHGD-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 236.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.46
LogP ≤ 5	16.02
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 [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate (CID 161344966) is [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate.

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

The canonical SMILES for [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3OC(=O)C(=C)C)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c3c2CCC3OC(=O)C(=C)C)cc1F.C=CC(=O)OC1CCc2c(-c3ccc(OC(=O)C(=C)C)cc3)ccc(OC(=O)C(=C)C)c21.

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

The InChIKey is VNECYEJOKJLHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FO6.C27H26O6.C26H24O6/c1-14(2)25(29)32-21-10-7-17(13-20(21)28)18-8-11-22(33-26(30)15(3)4)24-19(18)9-12-23(24)34-27(31)16(5)6;1-15(2)25(28)31-19-9-7-18(8-10-19)20-11-13-22(32-26(29)16(3)4)24-21(20)12-14-23(24)33-27(30)17(5)6;1-6-23(27)31-21-14-12-20-19(11-13-22(24(20)21)32-26(29)16(4)5)17-7-9-18(10-8-17)30-25(28)15(2)3/h7-8,10-11,13,23H,1,3,5,9,12H2,2,4,6H3;7-11,13,23H,1,3,5,12,14H2,2,4,6H3;6-11,13,21H,1-2,4,12,14H2,3,5H3.

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

[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 1343.46 g/mol, XLogP of 16.02, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate;[4-[7-(2-methylprop-2-enoyloxy)-1-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 161344966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).