2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene

C36H34O4 — CID 54438729

About 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene

2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene (PubChem CID 54438729) has the molecular formula C36H34O4 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene.

Molecular Properties

• Compound Name: 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
• PubChem CID: 54438729
• Molecular Formula: C36H34O4
• Molecular Weight: 530.66 g/mol
• Exact Mass: 530.25
• IUPAC Name: 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
• SMILES: C=CCOc1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(OCC=C)c(OC)c4)cc3)cc2)cc1OC
• InChI: InChI=1S/C36H34O4/c1-5-23-39-33-21-15-29(25-35(33)37-3)9-7-27-11-17-31(18-12-27)32-19-13-28(14-20-32)8-10-30-16-22-34(40-24-6-2)36(26-30)38-4/h5-22,25-26H,1-2,23-24H2,3-4H3
• InChIKey: WMOPNPBHVJFDPJ-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene?

The IUPAC name of 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene (CID 54438729) is 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene.

What is the SMILES notation for 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene?

The canonical SMILES for 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene is C=CCOc1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(OCC=C)c(OC)c4)cc3)cc2)cc1OC.

What is the InChIKey of 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene?

The InChIKey is WMOPNPBHVJFDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O4/c1-5-23-39-33-21-15-29(25-35(33)37-3)9-7-27-11-17-31(18-12-27)32-19-13-28(14-20-32)8-10-30-16-22-34(40-24-6-2)36(26-30)38-4/h5-22,25-26H,1-2,23-24H2,3-4H3.

What are the key properties of 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene?

2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene has a molecular weight of 530.66 g/mol, XLogP of 8.84, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene is sourced from PubChem (CID 54438729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).