2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate

C252H251F33O20 — CID 158350758

About 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate

2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate (PubChem CID 158350758) has the molecular formula C252H251F33O20 and a molecular weight of 4226.69 g/mol. Its IUPAC name is 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate.

Molecular Properties

• Compound Name: 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate
• PubChem CID: 158350758
• Molecular Formula: C252H251F33O20
• Molecular Weight: 4226.69 g/mol
• Exact Mass: 4223.81
• IUPAC Name: 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate
• SMILES: Cc1cc(C2CCC(C)CO2)cc(C)c1-c1cc(F)c(C(=O)Oc2cc(F)c(C)c(F)c2)c(F)c1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1cc(F)c(C(F)(F)Oc2cc(F)c(C)c(F)c2)c(F)c1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1cc(F)c(C(F)(F)Oc2cc(F)c(C)c(F)c2)c(F)c1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(C(=O)Oc2cc(F)c(C)c(F)c2)cc1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1.Cc1ccc(OC(F)(F)c2ccc(-c3c(C)cc(C4CCC(C)CO4)cc3C)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(-c3c(C)cc(C4CCC(C)CO4)cc3C)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(-c3c(C)cc(C4CCC(C)CO4)cc3C)cc2)cc1F
• InChI: InChI=1S/2C28H26F6O2.C28H26F4O3.2C28H28F4O2.C28H29F3O2.C28H28F2O3.2C28H30F2O2/c2*1-14-5-6-25(35-13-14)18-7-15(2)26(16(3)8-18)19-9-23(31)27(24(32)10-19)28(33,34)36-20-11-21(29)17(4)22(30)12-20;1-14-5-6-25(34-13-14)18-7-15(2)26(16(3)8-18)19-9-23(31)27(24(32)10-19)28(33)35-20-11-21(29)17(4)22(30)12-20;2*1-16-5-10-26(33-15-16)21-11-17(2)27(18(3)12-21)20-6-8-22(9-7-20)28(31,32)34-23-13-24(29)19(4)25(30)14-23;1-17-5-12-26(32-16-17)22-13-19(3)27(20(4)14-22)21-7-9-23(10-8-21)28(30,31)33-24-11-6-18(2)25(29)15-24;1-16-5-10-26(32-15-16)22-11-17(2)27(18(3)12-22)20-6-8-21(9-7-20)28(31)33-23-13-24(29)19(4)25(30)14-23;2*1-18-5-12-25(13-6-18)32-28(29,30)24-10-8-22(9-11-24)27-20(3)15-23(16-21(27)4)26-14-7-19(2)17-31-26/h2*7-12,14,25H,5-6,13H2,1-4H3;7-12,14,25H,5-6,13H2,1-4H3;2*6-9,11-14,16,26H,5,10,15H2,1-4H3;6-11,13-15,17,26H,5,12,16H2,1-4H3;6-9,11-14,16,26H,5,10,15H2,1-4H3;2*5-6,8-13,15-16,19,26H,7,14,17H2,1-4H3
• InChIKey: GSHCEDWIEZXSOJ-UHFFFAOYSA-N
• XLogP: 71.88
• TPSA: 200.28 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 43
• Heavy Atoms: 305
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4226.69
LogP ≤ 5	71.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate?

The IUPAC name of 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate (CID 158350758) is 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate.

What is the SMILES notation for 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate?

The canonical SMILES for 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate is Cc1cc(C2CCC(C)CO2)cc(C)c1-c1cc(F)c(C(=O)Oc2cc(F)c(C)c(F)c2)c(F)c1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1cc(F)c(C(F)(F)Oc2cc(F)c(C)c(F)c2)c(F)c1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1cc(F)c(C(F)(F)Oc2cc(F)c(C)c(F)c2)c(F)c1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(C(=O)Oc2cc(F)c(C)c(F)c2)cc1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1.Cc1cc(C2CCC(C)CO2)cc(C)c1-c1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1.Cc1ccc(OC(F)(F)c2ccc(-c3c(C)cc(C4CCC(C)CO4)cc3C)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(-c3c(C)cc(C4CCC(C)CO4)cc3C)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(-c3c(C)cc(C4CCC(C)CO4)cc3C)cc2)cc1F.

What is the InChIKey of 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate?

The InChIKey is GSHCEDWIEZXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H26F6O2.C28H26F4O3.2C28H28F4O2.C28H29F3O2.C28H28F2O3.2C28H30F2O2/c2*1-14-5-6-25(35-13-14)18-7-15(2)26(16(3)8-18)19-9-23(31)27(24(32)10-19)28(33,34)36-20-11-21(29)17(4)22(30)12-20;1-14-5-6-25(34-13-14)18-7-15(2)26(16(3)8-18)19-9-23(31)27(24(32)10-19)28(33)35-20-11-21(29)17(4)22(30)12-20;2*1-16-5-10-26(33-15-16)21-11-17(2)27(18(3)12-21)20-6-8-22(9-7-20)28(31,32)34-23-13-24(29)19(4)25(30)14-23;1-17-5-12-26(32-16-17)22-13-19(3)27(20(4)14-22)21-7-9-23(10-8-21)28(30,31)33-24-11-6-18(2)25(29)15-24;1-16-5-10-26(32-15-16)22-11-17(2)27(18(3)12-22)20-6-8-21(9-7-20)28(31)33-23-13-24(29)19(4)25(30)14-23;2*1-18-5-12-25(13-6-18)32-28(29,30)24-10-8-22(9-11-24)27-20(3)15-23(16-21(27)4)26-14-7-19(2)17-31-26/h2*7-12,14,25H,5-6,13H2,1-4H3;7-12,14,25H,5-6,13H2,1-4H3;2*6-9,11-14,16,26H,5,10,15H2,1-4H3;6-11,13-15,17,26H,5,12,16H2,1-4H3;6-9,11-14,16,26H,5,10,15H2,1-4H3;2*5-6,8-13,15-16,19,26H,7,14,17H2,1-4H3.

What are the key properties of 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate?

2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate has a molecular weight of 4226.69 g/mol, XLogP of 71.88, 43 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate is sourced from PubChem (CID 158350758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).