1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene

C33H34O — CID 58699069

About 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene

1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene (PubChem CID 58699069) has the molecular formula C33H34O and a molecular weight of 446.63 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene.

Molecular Properties

• Compound Name: 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
• PubChem CID: 58699069
• Molecular Formula: C33H34O
• Molecular Weight: 446.63 g/mol
• Exact Mass: 446.26
• IUPAC Name: 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
• SMILES: CCOc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C33H34O/c1-3-34-33-23-21-30(22-24-33)16-15-28-11-9-27(10-12-28)13-14-29-17-19-31(20-18-29)25-26(2)32-7-5-4-6-8-32/h4-12,15-24,26H,3,13-14,25H2,1-2H3/t26-/m0/s1
• InChIKey: MIUMLPLBUAQNPC-SANMLTNESA-N
• XLogP: 8.39
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.63
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?

The IUPAC name of 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene (CID 58699069) is 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene.

What is the SMILES notation for 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?

The canonical SMILES for 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene is CCOc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?

The InChIKey is MIUMLPLBUAQNPC-SANMLTNESA-N. The full InChI is InChI=1S/C33H34O/c1-3-34-33-23-21-30(22-24-33)16-15-28-11-9-27(10-12-28)13-14-29-17-19-31(20-18-29)25-26(2)32-7-5-4-6-8-32/h4-12,15-24,26H,3,13-14,25H2,1-2H3/t26-/m0/s1.

What are the key properties of 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?

1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene has a molecular weight of 446.63 g/mol, XLogP of 8.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58699069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).