2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate

C₇₀H₇₁FO₁₈ — CID 169258521

About 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate

2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate (PubChem CID 169258521) has the molecular formula C₇₀H₇₁FO₁₈ and a molecular weight of 1219.32 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 169258521
• Molecular Formula: C₇₀H₇₁FO₁₈
• Molecular Weight: 1219.32 g/mol
• Exact Mass: 1218.46
• IUPAC Name: 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC)c3)cc2F)cc1OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3OC)cc2)cc1OCCOC(=O)C(=C)C
• InChI: InChI=1S/C35H35FO9.C35H36O9/c1-21(2)33(37)43-16-14-41-29-12-10-26(20-32(29)42-15-17-44-34(38)22(3)4)27-11-8-24(18-28(27)36)25-9-13-30(31(19-25)40-7)45-35(39)23(5)6;1-22(2)33(36)42-18-16-40-30-15-12-27(20-32(30)41-17-19-43-34(37)23(3)4)25-8-10-26(11-9-25)29-14-13-28(21-31(29)39-7)44-35(38)24(5)6/h8-13,18-20H,1,3,5,14-17H2,2,4,6-7H3;8-15,20-21H,1,3,5,16-19H2,2,4,6-7H3
• InChIKey: LLWXLRZCGQGKOX-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 213.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1219.32
LogP ≤ 5	13.15
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': '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 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate (CID 169258521) is 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC)c3)cc2F)cc1OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3OC)cc2)cc1OCCOC(=O)C(=C)C.

What is the InChIKey of 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is LLWXLRZCGQGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FO9.C35H36O9/c1-21(2)33(37)43-16-14-41-29-12-10-26(20-32(29)42-15-17-44-34(38)22(3)4)27-11-8-24(18-28(27)36)25-9-13-30(31(19-25)40-7)45-35(39)23(5)6;1-22(2)33(36)42-18-16-40-30-15-12-27(20-32(30)41-17-19-43-34(37)23(3)4)25-8-10-26(11-9-25)29-14-13-28(21-31(29)39-7)44-35(38)24(5)6/h8-13,18-20H,1,3,5,14-17H2,2,4,6-7H3;8-15,20-21H,1,3,5,16-19H2,2,4,6-7H3.

What are the key properties of 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate?

2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 1219.32 g/mol, XLogP of 13.15, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 169258521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169258521 — identifiers, structure, computed properties (public domain)

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