1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene

C60H64F6O3 — CID 159097892

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
SMILESCOc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(C)cc3)c2)cc1.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C26H30O.C17H14F6O.C17H20O/c1-19-10-12-20(13-11-19)25(2,3)22-8-7-9-23(18-22)26(4,5)21-14-16-24(27-6)17-15-21;1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15/h7-18H,1-6H3;3-10H,1-2H3;5-12H,1-4H3
InChIKeyKCXAHTWDTRKTAL-UHFFFAOYSA-N
MW947.16 g/mol
LogP16.40
Rot. Bonds11

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene

1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene (PubChem CID 159097892) has the molecular formula C60H64F6O3 and a molecular weight of 947.16 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
PubChem CID159097892
Molecular FormulaC60H64F6O3
Molecular Weight947.16 g/mol
Exact Mass946.48
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
SMILESCOc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(C)cc3)c2)cc1.COc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C26H30O.C17H14F6O.C17H20O/c1-19-10-12-20(13-11-19)25(2,3)22-8-7-9-23(18-22)26(4,5)21-14-16-24(27-6)17-15-21;1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15/h7-18H,1-6H3;3-10H,1-2H3;5-12H,1-4H3
InChIKeyKCXAHTWDTRKTAL-UHFFFAOYSA-N
XLogP16.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.16
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene (CID 159097892) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene is COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(C)cc3)c2)cc1.COc1ccc(C(c2ccc(C)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)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The InChIKey is KCXAHTWDTRKTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O.C17H14F6O.C17H20O/c1-19-10-12-20(13-11-19)25(2,3)22-8-7-9-23(18-22)26(4,5)21-14-16-24(27-6)17-15-21;1-11-3-5-12(6-4-11)15(16(18,19)20,17(21,22)23)13-7-9-14(24-2)10-8-13;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15/h7-18H,1-6H3;3-10H,1-2H3;5-12H,1-4H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene has a molecular weight of 947.16 g/mol, XLogP of 16.40, 11 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)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene is sourced from PubChem (CID 159097892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).