1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene

C70H104F6O6 — CID 145231747

About 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene

1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene (PubChem CID 145231747) has the molecular formula C70H104F6O6 and a molecular weight of 1155.58 g/mol. Its IUPAC name is 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

• Compound Name: 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
• PubChem CID: 145231747
• Molecular Formula: C70H104F6O6
• Molecular Weight: 1155.58 g/mol
• Exact Mass: 1154.77
• IUPAC Name: 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
• SMILES: CCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1.CCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
• InChI: InChI=1S/C25H38F2O2.C23H34F2O2.C22H32F2O2/c1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20;1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25;1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h14-15,18-21H,3-13,16-17H2,1-2H3;13-14,16-19H,3-12,15H2,1-2H3;12-13,15-18H,3-11,14H2,1-2H3
• InChIKey: PAGPCBCSJMTQAF-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.58
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?

The IUPAC name of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene (CID 145231747) is 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene.

What is the SMILES notation for 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?

The canonical SMILES for 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene is CCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1.CCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.CCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.

What is the InChIKey of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?

The InChIKey is PAGPCBCSJMTQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F2O2.C23H34F2O2.C22H32F2O2/c1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20;1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25;1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h14-15,18-21H,3-13,16-17H2,1-2H3;13-14,16-19H,3-12,15H2,1-2H3;12-13,15-18H,3-11,14H2,1-2H3.

What are the key properties of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?

1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene has a molecular weight of 1155.58 g/mol, XLogP of 20.69, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 145231747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).