1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene

C24H22F2O — CID 58698898

About 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene

1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene (PubChem CID 58698898) has the molecular formula C24H22F2O and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene.

Molecular Properties

• Compound Name: 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene
• PubChem CID: 58698898
• Molecular Formula: C24H22F2O
• Molecular Weight: 364.44 g/mol
• Exact Mass: 364.16
• IUPAC Name: 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene
• SMILES: CCOc1ccc(C=Cc2ccc(C[C@@H](F)c3ccccc3)cc2F)cc1
• InChI: InChI=1S/C24H22F2O/c1-2-27-22-14-10-18(11-15-22)8-12-21-13-9-19(17-24(21)26)16-23(25)20-6-4-3-5-7-20/h3-15,17,23H,2,16H2,1H3/t23-/m1/s1
• InChIKey: DOOSJEILQARNLL-HSZRJFAPSA-N
• XLogP: 6.65
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.44
LogP ≤ 5	6.65
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-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene?

The IUPAC name of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene (CID 58698898) is 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene.

What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene?

The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene is CCOc1ccc(C=Cc2ccc(C[C@@H](F)c3ccccc3)cc2F)cc1.

What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene?

The InChIKey is DOOSJEILQARNLL-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22F2O/c1-2-27-22-14-10-18(11-15-22)8-12-21-13-9-19(17-24(21)26)16-23(25)20-6-4-3-5-7-20/h3-15,17,23H,2,16H2,1H3/t23-/m1/s1.

What are the key properties of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene?

1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene has a molecular weight of 364.44 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene is sourced from PubChem (CID 58698898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).