1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene

C198H302F14O4 — CID 160967448

About 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene

1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene (PubChem CID 160967448) has the molecular formula C198H302F14O4 and a molecular weight of 3012.56 g/mol. Its IUPAC name is 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene.

Molecular Properties

• Compound Name: 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene
• PubChem CID: 160967448
• Molecular Formula: C198H302F14O4
• Molecular Weight: 3012.56 g/mol
• Exact Mass: 3010.32
• IUPAC Name: 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene
• SMILES: CCCC1CCC(C2CCC(CCc3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(CCc2ccc(CC)c(F)c2F)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCC1CCC(C2CCC(CCc3ccc(OCC)c(F)c3F)CC2)CC1.CCCCC1CCC(CCc2ccc(CC)c(F)c2F)CC1.CCCCCC1CCC(C2CCC(CCc3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1CCC(CCc2ccc(CC)c(F)c2F)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C27H42F2O.C26H40F2O.C25H38F2O.C23H34F2O.C21H32F2.C20H30F2.C19H28F2.C19H36.C18H22/c1-3-5-6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-19-7-12-21(13-8-19)22-14-9-20(10-15-22)11-16-23-17-18-24(29-4-2)26(28)25(23)27;1-3-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-22-16-17-23(28-4-2)25(27)24(22)26;1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24;1-3-5-6-7-16-8-10-17(11-9-16)12-13-19-15-14-18(4-2)20(22)21(19)23;1-3-5-6-15-7-9-16(10-8-15)11-12-18-14-13-17(4-2)19(21)20(18)22;1-3-5-14-6-8-15(9-7-14)10-11-17-13-12-16(4-2)18(20)19(17)21;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h18-23H,3-17H2,1-2H3;17-22H,3-16H2,1-2H3;16-21H,3-15H2,1-2H3;14-19H,3-13H2,1-2H3;14-17H,3-13H2,1-2H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;16-19H,3-15H2,1-2H3;7-14H,3-6H2,1-2H3
• InChIKey: SXUSTHVXAVJLLG-UHFFFAOYSA-N
• XLogP: 62.89
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 65
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3012.56
LogP ≤ 5	62.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene?

The IUPAC name of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene (CID 160967448) is 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene.

What is the SMILES notation for 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene?

The canonical SMILES for 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene is CCCC1CCC(C2CCC(CCc3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(CCc2ccc(CC)c(F)c2F)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCC1CCC(C2CCC(CCc3ccc(OCC)c(F)c3F)CC2)CC1.CCCCC1CCC(CCc2ccc(CC)c(F)c2F)CC1.CCCCCC1CCC(C2CCC(CCc3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1CCC(CCc2ccc(CC)c(F)c2F)CC1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.

What is the InChIKey of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene?

The InChIKey is SXUSTHVXAVJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F2O.C26H40F2O.C25H38F2O.C23H34F2O.C21H32F2.C20H30F2.C19H28F2.C19H36.C18H22/c1-3-5-6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-19-7-12-21(13-8-19)22-14-9-20(10-15-22)11-16-23-17-18-24(29-4-2)26(28)25(23)27;1-3-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-22-16-17-23(28-4-2)25(27)24(22)26;1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24;1-3-5-6-7-16-8-10-17(11-9-16)12-13-19-15-14-18(4-2)20(22)21(19)23;1-3-5-6-15-7-9-16(10-8-15)11-12-18-14-13-17(4-2)19(21)20(18)22;1-3-5-14-6-8-15(9-7-14)10-11-17-13-12-16(4-2)18(20)19(17)21;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h18-23H,3-17H2,1-2H3;17-22H,3-16H2,1-2H3;16-21H,3-15H2,1-2H3;14-19H,3-13H2,1-2H3;14-17H,3-13H2,1-2H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;16-19H,3-15H2,1-2H3;7-14H,3-6H2,1-2H3.

What are the key properties of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene?

1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene has a molecular weight of 3012.56 g/mol, XLogP of 62.89, 65 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 160967448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).