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

C174H167FO30 — CID 161128493

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

3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (PubChem CID 161128493) has the molecular formula C174H167FO30 and a molecular weight of 2757.22 g/mol. Its IUPAC name is 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
• PubChem CID: 161128493
• Molecular Formula: C174H167FO30
• Molecular Weight: 2757.22 g/mol
• Exact Mass: 2755.15
• IUPAC Name: 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3OC(=O)C(=C)C)cc2F)c2c1CCC2.C=C(C)C(=O)Oc1ccc(-c2cc(C)c(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)cc2C)c(OC(=O)C(=C)C)c1.C=C(C)C(=O)Oc1ccc(-c2cc(C)c(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)cc2C)c(OC(=O)C(=C)C)c1.C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)c(C)c2)c(OC(=O)C(=C)C)c1.C=CC(=O)Oc1ccc(-c2cc(C)c(-c3ccc(OC(=O)C(=C)C)cc3OC(=O)C(=C)C)cc2C)c2c1CCC2
• InChI: InChI=1S/C36H35FO6.2C35H34O6.2C34H32O6/c1-21(2)34(38)41-18-8-9-24-12-15-30(29-11-7-10-27(24)29)31-16-13-25(19-32(31)37)28-17-14-26(42-35(39)22(3)4)20-33(28)43-36(40)23(5)6;2*1-19(2)33(36)39-24-12-13-28(32(18-24)41-35(38)21(5)6)30-17-22(7)29(16-23(30)8)26-14-15-31(40-34(37)20(3)4)27-11-9-10-25(26)27;1-19(2)32(35)38-24-12-14-26(31(18-24)40-34(37)21(5)6)23-11-13-25(22(7)17-23)28-15-16-30(39-33(36)20(3)4)29-10-8-9-27(28)29;1-8-32(35)39-30-15-14-25(24-10-9-11-26(24)30)28-16-22(7)29(17-21(28)6)27-13-12-23(38-33(36)19(2)3)18-31(27)40-34(37)20(4)5/h12-17,19-20H,1,3,5,7-11,18H2,2,4,6H3;2*12-18H,1,3,5,9-11H2,2,4,6-8H3;11-18H,1,3,5,8-10H2,2,4,6-7H3;8,12-18H,1-2,4,9-11H2,3,5-7H3
• InChIKey: ULWFLAUNFJIVNR-UHFFFAOYSA-N
• XLogP: 37.25
• TPSA: 394.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 43
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2757.22
LogP ≤ 5	37.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?

The IUPAC name of 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (CID 161128493) is 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

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

The canonical SMILES for 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3OC(=O)C(=C)C)cc2F)c2c1CCC2.C=C(C)C(=O)Oc1ccc(-c2cc(C)c(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)cc2C)c(OC(=O)C(=C)C)c1.C=C(C)C(=O)Oc1ccc(-c2cc(C)c(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)cc2C)c(OC(=O)C(=C)C)c1.C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c4c3CCC4)c(C)c2)c(OC(=O)C(=C)C)c1.C=CC(=O)Oc1ccc(-c2cc(C)c(-c3ccc(OC(=O)C(=C)C)cc3OC(=O)C(=C)C)cc2C)c2c1CCC2.

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

The InChIKey is ULWFLAUNFJIVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35FO6.2C35H34O6.2C34H32O6/c1-21(2)34(38)41-18-8-9-24-12-15-30(29-11-7-10-27(24)29)31-16-13-25(19-32(31)37)28-17-14-26(42-35(39)22(3)4)20-33(28)43-36(40)23(5)6;2*1-19(2)33(36)39-24-12-13-28(32(18-24)41-35(38)21(5)6)30-17-22(7)29(16-23(30)8)26-14-15-31(40-34(37)20(3)4)27-11-9-10-25(26)27;1-19(2)32(35)38-24-12-14-26(31(18-24)40-34(37)21(5)6)23-11-13-25(22(7)17-23)28-15-16-30(39-33(36)20(3)4)29-10-8-9-27(28)29;1-8-32(35)39-30-15-14-25(24-10-9-11-26(24)30)28-16-22(7)29(17-21(28)6)27-13-12-23(38-33(36)19(2)3)18-31(27)40-34(37)20(4)5/h12-17,19-20H,1,3,5,7-11,18H2,2,4,6H3;2*12-18H,1,3,5,9-11H2,2,4,6-8H3;11-18H,1,3,5,8-10H2,2,4,6-7H3;8,12-18H,1-2,4,9-11H2,3,5-7H3.

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

3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 2757.22 g/mol, XLogP of 37.25, 43 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl]propyl 2-methylprop-2-enoate;bis([4-[2,5-dimethyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate);[4-[2,5-dimethyl-4-(7-prop-2-enoyloxy-2,3-dihydro-1H-inden-4-yl)phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[7-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-inden-4-yl]phenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 161128493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).