1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile

C204H260F7N7O10 — CID 159202454

About 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile

1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile (PubChem CID 159202454) has the molecular formula C204H260F7N7O10 and a molecular weight of 3103.35 g/mol. Its IUPAC name is 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile
• PubChem CID: 159202454
• Molecular Formula: C204H260F7N7O10
• Molecular Weight: 3103.35 g/mol
• Exact Mass: 3100.99
• IUPAC Name: 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile
• SMILES: C=CC1CCC(C2CCC(c3ccc(C4CCC(CCC)CC4)cc3)CC2)CC1.C=CCCC1CCC(c2ccc(-c3ccc(F)cc3)c(F)c2F)CC1.CCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1.CCCCc1ccc(-c2ccc(-c3ccc(F)c(F)c3)c(F)c2F)cc1.CCCc1ccc(C2CCC(C3CCC(CC)CC3)CC2)cc1.COc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.[C-]#[N+]c1c(OC(=O)C2CCC(CCC)CC2)ccc(OCC)c1C#N.[C-]#[N+]c1c(OC(=O)C2CCC(CCC)CC2)ccc(OCCCC)c1C#N.[C-]#[N+]c1c(OC(=O)C2CCC(CCCCC)CC2)ccc(OCCCC)c1C#N
• InChI: InChI=1S/C29H44.C24H32N2O3.C23H36.C22H18F4.C22H23F3.C22H28N2O3.C22H25N.C20H24N2O3.C20H30O/c1-3-5-23-8-12-25(13-9-23)27-16-20-29(21-17-27)28-18-14-26(15-19-28)24-10-6-22(4-2)7-11-24;1-4-6-8-9-18-10-12-19(13-11-18)24(27)29-22-15-14-21(28-16-7-5-2)20(17-25)23(22)26-3;1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-2-3-4-14-5-7-15(8-6-14)17-10-11-18(22(26)21(17)25)16-9-12-19(23)20(24)13-16;1-2-3-4-15-5-7-16(8-6-15)19-13-14-20(22(25)21(19)24)17-9-11-18(23)12-10-17;1-4-6-14-26-19-12-13-20(21(24-3)18(19)15-23)27-22(25)17-10-8-16(7-5-2)9-11-17;1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20;1-4-6-14-7-9-15(10-8-14)20(23)25-18-12-11-17(24-5-2)16(13-21)19(18)22-3;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21-2)14-12-19/h4,16-17,20-26,28H,2-3,5-15,18-19H2,1H3;14-15,18-19H,4-13,16H2,1-2H3;8-9,12-13,18,20,22-23H,3-7,10-11,14-17H2,1-2H3;5-13H,2-4H2,1H3;2,9-16H,1,3-8H2;12-13,16-17H,4-11,14H2,1-2H3;6-7,10-15,17,19H,2-5,8-9H2,1H3;11-12,14-15H,4-10H2,1-2H3;11-18H,3-10H2,1-2H3
• InChIKey: KPLQXSFUNFDPIB-UHFFFAOYSA-N
• XLogP: 59.58
• TPSA: 224.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 52
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3103.35
LogP ≤ 5	59.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile?

The IUPAC name of 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile (CID 159202454) is 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile.

What is the SMILES notation for 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile?

The canonical SMILES for 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile is C=CC1CCC(C2CCC(c3ccc(C4CCC(CCC)CC4)cc3)CC2)CC1.C=CCCC1CCC(c2ccc(-c3ccc(F)cc3)c(F)c2F)CC1.CCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1.CCCCc1ccc(-c2ccc(-c3ccc(F)c(F)c3)c(F)c2F)cc1.CCCc1ccc(C2CCC(C3CCC(CC)CC3)CC2)cc1.COc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.[C-]#[N+]c1c(OC(=O)C2CCC(CCC)CC2)ccc(OCC)c1C#N.[C-]#[N+]c1c(OC(=O)C2CCC(CCC)CC2)ccc(OCCCC)c1C#N.[C-]#[N+]c1c(OC(=O)C2CCC(CCCCC)CC2)ccc(OCCCC)c1C#N.

What is the InChIKey of 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile?

The InChIKey is KPLQXSFUNFDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44.C24H32N2O3.C23H36.C22H18F4.C22H23F3.C22H28N2O3.C22H25N.C20H24N2O3.C20H30O/c1-3-5-23-8-12-25(13-9-23)27-16-20-29(21-17-27)28-18-14-26(15-19-28)24-10-6-22(4-2)7-11-24;1-4-6-8-9-18-10-12-19(13-11-18)24(27)29-22-15-14-21(28-16-7-5-2)20(17-25)23(22)26-3;1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-2-3-4-14-5-7-15(8-6-14)17-10-11-18(22(26)21(17)25)16-9-12-19(23)20(24)13-16;1-2-3-4-15-5-7-16(8-6-15)19-13-14-20(22(25)21(19)24)17-9-11-18(23)12-10-17;1-4-6-14-26-19-12-13-20(21(24-3)18(19)15-23)27-22(25)17-10-8-16(7-5-2)9-11-17;1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20;1-4-6-14-7-9-15(10-8-14)20(23)25-18-12-11-17(24-5-2)16(13-21)19(18)22-3;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21-2)14-12-19/h4,16-17,20-26,28H,2-3,5-15,18-19H2,1H3;14-15,18-19H,4-13,16H2,1-2H3;8-9,12-13,18,20,22-23H,3-7,10-11,14-17H2,1-2H3;5-13H,2-4H2,1H3;2,9-16H,1,3-8H2;12-13,16-17H,4-11,14H2,1-2H3;6-7,10-15,17,19H,2-5,8-9H2,1H3;11-12,14-15H,4-10H2,1-2H3;11-18H,3-10H2,1-2H3.

What are the key properties of 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile?

1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile has a molecular weight of 3103.35 g/mol, XLogP of 59.58, 52 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-but-3-enylcyclohexyl)-2,3-difluoro-4-(4-fluorophenyl)benzene;(4-butoxy-3-cyano-2-isocyanophenyl) 4-pentylcyclohexane-1-carboxylate;(4-butoxy-3-cyano-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-(4-butylphenyl)-4-(3,4-difluorophenyl)-2,3-difluorobenzene;(3-cyano-4-ethoxy-2-isocyanophenyl) 4-propylcyclohexane-1-carboxylate;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-propylbenzene;1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]benzonitrile is sourced from PubChem (CID 159202454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).