3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate

C30H28O6 — CID 170034520

About 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate

3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate (PubChem CID 170034520) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate
• PubChem CID: 170034520
• Molecular Formula: C30H28O6
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.19
• IUPAC Name: 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C(=C)C)ccc43)c2OC)cc1
• InChI: InChI=1S/C30H28O6/c1-18(2)29(31)34-16-6-7-20-8-10-21(11-9-20)23-14-15-25-24-13-12-22(35-30(32)19(3)4)17-26(24)36-28(25)27(23)33-5/h8-15,17H,1,3,6-7,16H2,2,4-5H3
• InChIKey: IBQAYYYAXKDOKK-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 74.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate (CID 170034520) is 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C(=C)C)ccc43)c2OC)cc1.

What is the InChIKey of 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate?

The InChIKey is IBQAYYYAXKDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O6/c1-18(2)29(31)34-16-6-7-20-8-10-21(11-9-20)23-14-15-25-24-13-12-22(35-30(32)19(3)4)17-26(24)36-28(25)27(23)33-5/h8-15,17H,1,3,6-7,16H2,2,4-5H3.

What are the key properties of 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate?

3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate has a molecular weight of 484.55 g/mol, XLogP of 6.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 170034520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).