1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane

C220H223F9 — CID 158373412

About 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane

1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane (PubChem CID 158373412) has the molecular formula C220H223F9 and a molecular weight of 3038.19 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane.

Molecular Properties

• Compound Name: 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane
• PubChem CID: 158373412
• Molecular Formula: C220H223F9
• Molecular Weight: 3038.19 g/mol
• Exact Mass: 3035.73
• IUPAC Name: 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane
• SMILES: C.C/C=C/CCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)cc1.C/C=C/CCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.C/C=C/CCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.CCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
• InChI: InChI=1S/C26H27F.C25H27F.2C25H25F.C24H23F.C24H25F.C24H23F.C23H21F.C23H23F.CH4/c1-3-5-6-8-21-11-15-23(16-12-21)25-18-17-24(19-26(25)27)22-13-9-20(7-4-2)10-14-22;2*1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21;1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21;1-3-4-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24(23)25)20-11-7-18(2)8-12-20;2*1-3-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24(23)25)20-11-7-18(4-2)8-12-20;1-3-4-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(2)7-11-19;1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;/h3,5,9-19H,4,6-8H2,1-2H3;8-18H,3-7H2,1-2H3;3,5,8-18H,4,6-7H2,1-2H3;3,8-18H,1,4-7H2,2H3;3-4,7-17H,5-6H2,1-2H3;7-17H,3-6H2,1-2H3;3,7-17H,1,4-6H2,2H3;3,6-16H,1,4-5H2,2H3;6-16H,3-5H2,1-2H3;1H4/b5-3+;;5-3+;;4-3+
• InChIKey: GUXAOQZLKKKUPN-ZYYKYDMASA-N
• XLogP: 64.32
• TPSA: 0.00 Ų
• Rotatable Bonds: 54
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3038.19
LogP ≤ 5	64.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane?

The IUPAC name of 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane (CID 158373412) is 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane.

What is the SMILES notation for 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane?

The canonical SMILES for 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane is C.C/C=C/CCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)cc1.C/C=C/CCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.C/C=C/CCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.CCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.

What is the InChIKey of 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane?

The InChIKey is GUXAOQZLKKKUPN-ZYYKYDMASA-N. The full InChI is InChI=1S/C26H27F.C25H27F.2C25H25F.C24H23F.C24H25F.C24H23F.C23H21F.C23H23F.CH4/c1-3-5-6-8-21-11-15-23(16-12-21)25-18-17-24(19-26(25)27)22-13-9-20(7-4-2)10-14-22;2*1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21;1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21;1-3-4-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24(23)25)20-11-7-18(2)8-12-20;2*1-3-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24(23)25)20-11-7-18(4-2)8-12-20;1-3-4-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(2)7-11-19;1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;/h3,5,9-19H,4,6-8H2,1-2H3;8-18H,3-7H2,1-2H3;3,5,8-18H,4,6-7H2,1-2H3;3,8-18H,1,4-7H2,2H3;3-4,7-17H,5-6H2,1-2H3;7-17H,3-6H2,1-2H3;3,7-17H,1,4-6H2,2H3;3,6-16H,1,4-5H2,2H3;6-16H,3-5H2,1-2H3;1H4/b5-3+;;5-3+;;4-3+;;;;;.

What are the key properties of 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane?

1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane has a molecular weight of 3038.19 g/mol, XLogP of 64.32, 54 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane is sourced from PubChem (CID 158373412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).