2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate

C28H24O5 — CID 123993816

About 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate

2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate (PubChem CID 123993816) has the molecular formula C28H24O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
• PubChem CID: 123993816
• Molecular Formula: C28H24O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.16
• IUPAC Name: 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC=COc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1
• InChI: InChI=1S/C28H24O5/c1-19(2)27(29)32-18-17-31-25-13-9-23(10-14-25)21-5-7-22(8-6-21)24-11-15-26(16-12-24)33-28(30)20(3)4/h5-18H,1,3H2,2,4H3
• InChIKey: JFZUWZXXGMYJMT-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', '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-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate (CID 123993816) is 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=COc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1.

What is the InChIKey of 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?

The InChIKey is JFZUWZXXGMYJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O5/c1-19(2)27(29)32-18-17-31-25-13-9-23(10-14-25)21-5-7-22(8-6-21)24-11-15-26(16-12-24)33-28(30)20(3)4/h5-18H,1,3H2,2,4H3.

What are the key properties of 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?

2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate has a molecular weight of 440.50 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 123993816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).