1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene

C159H188F4O2 — CID 157215334

About 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene

1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene (PubChem CID 157215334) has the molecular formula C159H188F4O2 and a molecular weight of 2207.24 g/mol. Its IUPAC name is 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene.

Molecular Properties

• Compound Name: 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene
• PubChem CID: 157215334
• Molecular Formula: C159H188F4O2
• Molecular Weight: 2207.24 g/mol
• Exact Mass: 2205.45
• IUPAC Name: 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene
• SMILES: C=CCCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(C)cc2)cc1.CCCC1CCC(c2ccc(OC)cc2)CC1.CCCCCC1CCC(c2ccc(OCC)cc2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(C2CCC(CCC)CC2)c(F)c1
• InChI: InChI=1S/2C24H23F.C23H21F.C19H30O.C18H27F.C18H22.C17H18.C16H24O/c1-3-5-6-19-9-11-20(12-10-19)22-15-16-23(24(25)17-22)21-13-7-18(4-2)8-14-21;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;1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20;1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2;1-3-5-14-7-10-16(11-8-14)17-12-9-15(6-4-2)13-18(17)19;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h2*3,7-17H,1,4-6H2,2H3;3,6-16H,1,4-5H2,2H3;12-17H,3-11H2,1-2H3;9,12-14,16H,3-8,10-11H2,1-2H3;7-14H,3-6H2,1-2H3;3,6-13H,1,4-5H2,2H3;9-14H,3-8H2,1-2H3
• InChIKey: ASISCDKKNFFBHO-UHFFFAOYSA-N
• XLogP: 47.00
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 42
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2207.24
LogP ≤ 5	47.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene?

The IUPAC name of 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene (CID 157215334) is 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene.

What is the SMILES notation for 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene?

The canonical SMILES for 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene is C=CCCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.C=CCCc1ccc(-c2ccc(C)cc2)cc1.CCCC1CCC(c2ccc(OC)cc2)CC1.CCCCCC1CCC(c2ccc(OCC)cc2)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCc1ccc(C2CCC(CCC)CC2)c(F)c1.

What is the InChIKey of 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene?

The InChIKey is ASISCDKKNFFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23F.C23H21F.C19H30O.C18H27F.C18H22.C17H18.C16H24O/c1-3-5-6-19-9-11-20(12-10-19)22-15-16-23(24(25)17-22)21-13-7-18(4-2)8-14-21;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;1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20;1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2;1-3-5-14-7-10-16(11-8-14)17-12-9-15(6-4-2)13-18(17)19;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h2*3,7-17H,1,4-6H2,2H3;3,6-16H,1,4-5H2,2H3;12-17H,3-11H2,1-2H3;9,12-14,16H,3-8,10-11H2,1-2H3;7-14H,3-6H2,1-2H3;3,6-13H,1,4-5H2,2H3;9-14H,3-8H2,1-2H3.

What are the key properties of 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene?

1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene has a molecular weight of 2207.24 g/mol, XLogP of 47.00, 42 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-but-3-enyl-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-ethoxy-4-(4-pentylcyclohexyl)benzene;2-fluoro-4-propyl-1-(4-propylcyclohexyl)benzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 157215334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).