1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene

C26H24F6O3 — CID 87866078

About 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene

1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene (PubChem CID 87866078) has the molecular formula C26H24F6O3 and a molecular weight of 498.46 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene.

Molecular Properties

• Compound Name: 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene
• PubChem CID: 87866078
• Molecular Formula: C26H24F6O3
• Molecular Weight: 498.46 g/mol
• Exact Mass: 498.16
• IUPAC Name: 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene
• SMILES: COc1ccc(COC(c2ccc(O[C@H](C)Cc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C26H24F6O3/c1-18(16-19-6-4-3-5-7-19)35-23-14-10-21(11-15-23)24(25(27,28)29,26(30,31)32)34-17-20-8-12-22(33-2)13-9-20/h3-15,18H,16-17H2,1-2H3/t18-/m1/s1
• InChIKey: LRAMDOIRHFGVHB-GOSISDBHSA-N
• XLogP: 7.24
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.46
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene?

The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene (CID 87866078) is 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene.

What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene?

The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene is COc1ccc(COC(c2ccc(O[C@H](C)Cc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.

What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene?

The InChIKey is LRAMDOIRHFGVHB-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24F6O3/c1-18(16-19-6-4-3-5-7-19)35-23-14-10-21(11-15-23)24(25(27,28)29,26(30,31)32)34-17-20-8-12-22(33-2)13-9-20/h3-15,18H,16-17H2,1-2H3/t18-/m1/s1.

What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene?

1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene has a molecular weight of 498.46 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene is sourced from PubChem (CID 87866078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).