4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene

C41H43F — CID 144644200

About 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene

4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene (PubChem CID 144644200) has the molecular formula C41H43F and a molecular weight of 554.79 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene.

Molecular Properties

• Compound Name: 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
• PubChem CID: 144644200
• Molecular Formula: C41H43F
• Molecular Weight: 554.79 g/mol
• Exact Mass: 554.33
• IUPAC Name: 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
• SMILES: C/C=C/CCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
• InChI: InChI=1S/C23H23F.C18H20/c1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h6-16H,3-5H2,1-2H3;3-4,7-14H,5-6H2,1-2H3/b;4-3+
• InChIKey: REMYHGJTKCRXSY-SCBDLNNBSA-N
• XLogP: 11.85
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.79
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene?

The IUPAC name of 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene (CID 144644200) is 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene.

What is the SMILES notation for 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene?

The canonical SMILES for 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene is C/C=C/CCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.

What is the InChIKey of 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene?

The InChIKey is REMYHGJTKCRXSY-SCBDLNNBSA-N. The full InChI is InChI=1S/C23H23F.C18H20/c1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h6-16H,3-5H2,1-2H3;3-4,7-14H,5-6H2,1-2H3/b;4-3+.

What are the key properties of 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene?

4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene has a molecular weight of 554.79 g/mol, XLogP of 11.85, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene is sourced from PubChem (CID 144644200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).