1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene

C83H118F6O6 — CID 162050662

About 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene

1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene (PubChem CID 162050662) has the molecular formula C83H118F6O6 and a molecular weight of 1325.84 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene.

Molecular Properties

• Compound Name: 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene
• PubChem CID: 162050662
• Molecular Formula: C83H118F6O6
• Molecular Weight: 1325.84 g/mol
• Exact Mass: 1324.88
• IUPAC Name: 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene
• SMILES: CCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(COc2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(c2ccc(OC)cc2)CC1.CCCCOc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1F
• InChI: InChI=1S/C25H32F2O.C24H36F2O2.C18H26F2O2.C16H24O/c1-3-5-17-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(6-4-2)8-10-19;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26;1-3-5-13-6-8-14(9-7-13)12-22-16-11-10-15(21-4-2)17(19)18(16)20;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h11-16,18-19H,3-10,17H2,1-2H3;14-15,17-20H,3-13,16H2,1-2H3;10-11,13-14H,3-9,12H2,1-2H3;9-14H,3-8H2,1-2H3
• InChIKey: YYMSHQWGUJOFFO-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 27
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.84
LogP ≤ 5	25.16
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-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene?

The IUPAC name of 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene (CID 162050662) is 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene.

What is the SMILES notation for 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene?

The canonical SMILES for 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene is CCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.CCCC1CCC(COc2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(c2ccc(OC)cc2)CC1.CCCCOc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1F.

What is the InChIKey of 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene?

The InChIKey is YYMSHQWGUJOFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2O.C24H36F2O2.C18H26F2O2.C16H24O/c1-3-5-17-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(6-4-2)8-10-19;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26;1-3-5-13-6-8-14(9-7-13)12-22-16-11-10-15(21-4-2)17(19)18(16)20;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h11-16,18-19H,3-10,17H2,1-2H3;14-15,17-20H,3-13,16H2,1-2H3;10-11,13-14H,3-9,12H2,1-2H3;9-14H,3-8H2,1-2H3.

What are the key properties of 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene?

1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene has a molecular weight of 1325.84 g/mol, XLogP of 25.16, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 162050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).