4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane

C₁₃₄H₁₃₆F₁₂O₁₈ — CID 159005156

About 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane (PubChem CID 159005156) has the molecular formula C₁₃₄H₁₃₆F₁₂O₁₈ and a molecular weight of 2262.52 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane.

Molecular Properties

• Compound Name: 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane
• PubChem CID: 159005156
• Molecular Formula: C₁₃₄H₁₃₆F₁₂O₁₈
• Molecular Weight: 2262.52 g/mol
• Exact Mass: 2260.95
• IUPAC Name: 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane
• SMILES: C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(C(C)(C)c2ccc(OC3CO3)c(CC=C)c2)ccc1OC1CO1.C=CCc1cc(C(c2ccc(O)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.C=CCc1cc(C(c2ccc(OC3CO3)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC1CO1.C=CCc1cc(Cc2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(Cc2ccc(OC3CO3)c(CC=C)c2)ccc1OC1CO1
• InChI: InChI=1S/C25H22F6O4.C25H28O4.C23H24O4.C21H18F6O2.C21H24O2.C19H20O2/c1-3-5-15-11-17(7-9-19(15)34-21-13-32-21)23(24(26,27)28,25(29,30)31)18-8-10-20(35-22-14-33-22)16(12-18)6-4-2;1-5-7-17-13-19(9-11-21(17)28-23-15-26-23)25(3,4)20-10-12-22(29-24-16-27-24)18(14-20)8-6-2;1-3-5-18-12-16(7-9-20(18)26-22-14-24-22)11-17-8-10-21(27-23-15-25-23)19(13-17)6-4-2;1-3-5-13-11-15(7-9-17(13)28)19(20(22,23)24,21(25,26)27)16-8-10-18(29)14(12-16)6-4-2;1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2;1-3-5-16-12-14(7-9-18(16)20)11-15-8-10-19(21)17(13-15)6-4-2/h3-4,7-12,21-22H,1-2,5-6,13-14H2;5-6,9-14,23-24H,1-2,7-8,15-16H2,3-4H3;3-4,7-10,12-13,22-23H,1-2,5-6,11,14-15H2;3-4,7-12,28-29H,1-2,5-6H2;5-6,9-14,22-23H,1-2,7-8H2,3-4H3;3-4,7-10,12-13,20-21H,1-2,5-6,11H2
• InChIKey: JRVFBYAFXZXVRO-UHFFFAOYSA-N
• XLogP: 30.16
• TPSA: 251.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 48
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2262.52
LogP ≤ 5	30.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane?

The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane (CID 159005156) is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane.

What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane?

The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane is C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(C(C)(C)c2ccc(OC3CO3)c(CC=C)c2)ccc1OC1CO1.C=CCc1cc(C(c2ccc(O)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.C=CCc1cc(C(c2ccc(OC3CO3)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC1CO1.C=CCc1cc(Cc2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(Cc2ccc(OC3CO3)c(CC=C)c2)ccc1OC1CO1.

What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane?

The InChIKey is JRVFBYAFXZXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6O4.C25H28O4.C23H24O4.C21H18F6O2.C21H24O2.C19H20O2/c1-3-5-15-11-17(7-9-19(15)34-21-13-32-21)23(24(26,27)28,25(29,30)31)18-8-10-20(35-22-14-33-22)16(12-18)6-4-2;1-5-7-17-13-19(9-11-21(17)28-23-15-26-23)25(3,4)20-10-12-22(29-24-16-27-24)18(14-20)8-6-2;1-3-5-18-12-16(7-9-20(18)26-22-14-24-22)11-17-8-10-21(27-23-15-25-23)19(13-17)6-4-2;1-3-5-13-11-15(7-9-17(13)28)19(20(22,23)24,21(25,26)27)16-8-10-18(29)14(12-16)6-4-2;1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2;1-3-5-16-12-14(7-9-18(16)20)11-15-8-10-19(21)17(13-15)6-4-2/h3-4,7-12,21-22H,1-2,5-6,13-14H2;5-6,9-14,23-24H,1-2,7-8,15-16H2,3-4H3;3-4,7-10,12-13,22-23H,1-2,5-6,11,14-15H2;3-4,7-12,28-29H,1-2,5-6H2;5-6,9-14,22-23H,1-2,7-8H2,3-4H3;3-4,7-10,12-13,20-21H,1-2,5-6,11H2.

What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane?

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane has a molecular weight of 2262.52 g/mol, XLogP of 30.16, 48 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane is sourced from PubChem (CID 159005156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159005156 — identifiers, structure, computed properties (public domain)

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