1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

C152H194F3NO8 — CID 158854286

About 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 158854286) has the molecular formula C152H194F3NO8 and a molecular weight of 2220.22 g/mol. Its IUPAC name is 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
• PubChem CID: 158854286
• Molecular Formula: C152H194F3NO8
• Molecular Weight: 2220.22 g/mol
• Exact Mass: 2218.48
• IUPAC Name: 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
• SMILES: C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(C(=O)Oc2ccc(C#Cc3ccc(C)cc3)cc2)CC1.CCCC1CCC(C2CCC(C(=O)Oc3ccc(F)c(F)c3)CC2)CC1.CCCC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(CCC)CC4)CC3)cc2)CC1.CCCCCc1ccc(C#Cc2ccc(OC(=O)C3CCC(CCC)CC3)cc2)cc1.CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1
• InChI: InChI=1S/C31H48O2.C29H36O2.C25H28O2.C23H34.C22H30F2O2.C22H18FN/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26;1-3-5-6-8-24-9-11-25(12-10-24)13-14-26-17-21-28(22-18-26)31-29(30)27-19-15-23(7-4-2)16-20-27;1-3-4-20-11-15-23(16-12-20)25(26)27-24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19;1-2-3-16-4-8-18(9-5-16)20-12-13-21(22(23)14-20)19-10-6-17(15-24)7-11-19/h19-27,29H,3-18H2,1-2H3;9-12,17-18,21-23,27H,3-8,15-16,19-20H2,1-2H3;5-8,13-14,17-18,20,23H,3-4,11-12,15-16H2,1-2H3;3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3;12-18H,2-11H2,1H3;4-14H,2-3H2,1H3
• InChIKey: IZVOKTHVYJEDCV-UHFFFAOYSA-N
• XLogP: 41.62
• TPSA: 128.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2220.22
LogP ≤ 5	41.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?

The IUPAC name of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (CID 158854286) is 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.

What is the SMILES notation for 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?

The canonical SMILES for 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(C(=O)Oc2ccc(C#Cc3ccc(C)cc3)cc2)CC1.CCCC1CCC(C2CCC(C(=O)Oc3ccc(F)c(F)c3)CC2)CC1.CCCC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(CCC)CC4)CC3)cc2)CC1.CCCCCc1ccc(C#Cc2ccc(OC(=O)C3CCC(CCC)CC3)cc2)cc1.CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1.

What is the InChIKey of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?

The InChIKey is IZVOKTHVYJEDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2.C29H36O2.C25H28O2.C23H34.C22H30F2O2.C22H18FN/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26;1-3-5-6-8-24-9-11-25(12-10-24)13-14-26-17-21-28(22-18-26)31-29(30)27-19-15-23(7-4-2)16-20-27;1-3-4-20-11-15-23(16-12-20)25(26)27-24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19;1-2-3-16-4-8-18(9-5-16)20-12-13-21(22(23)14-20)19-10-6-17(15-24)7-11-19/h19-27,29H,3-18H2,1-2H3;9-12,17-18,21-23,27H,3-8,15-16,19-20H2,1-2H3;5-8,13-14,17-18,20,23H,3-4,11-12,15-16H2,1-2H3;3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3;12-18H,2-11H2,1H3;4-14H,2-3H2,1H3.

What are the key properties of 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?

1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 2220.22 g/mol, XLogP of 41.62, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 158854286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).