1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol

C24H20F6O4 — CID 11648771

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol
SMILESOCc1ccc(OCC(Oc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H20F6O4/c25-23(26,27)22(32,24(28,29)30)18-8-12-20(13-9-18)34-21(17-4-2-1-3-5-17)15-33-19-10-6-16(14-31)7-11-19/h1-13,21,31-32H,14-15H2
InChIKeyFDRHWEQWJBTQKS-UHFFFAOYSA-N
MW486.41 g/mol
LogP5.69
Rot. Bonds8

About 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol (PubChem CID 11648771) has the molecular formula C24H20F6O4 and a molecular weight of 486.41 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol
PubChem CID11648771
Molecular FormulaC24H20F6O4
Molecular Weight486.41 g/mol
Exact Mass486.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol
SMILESOCc1ccc(OCC(Oc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H20F6O4/c25-23(26,27)22(32,24(28,29)30)18-8-12-20(13-9-18)34-21(17-4-2-1-3-5-17)15-33-19-10-6-16(14-31)7-11-19/h1-13,21,31-32H,14-15H2
InChIKeyFDRHWEQWJBTQKS-UHFFFAOYSA-N
XLogP5.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol with MolForge

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Related Compounds

CID 8306
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CID 70061
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CID 46838077
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CID 16211017
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CID 16218252
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CID 16218827
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CID 74338
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CID 46205471
CID 46205471
CID 11517178
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CID 11631863
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CID 11682042
CID 11682042

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol (CID 11648771) is 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol is OCc1ccc(OCC(Oc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol?
The InChIKey is FDRHWEQWJBTQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6O4/c25-23(26,27)22(32,24(28,29)30)18-8-12-20(13-9-18)34-21(17-4-2-1-3-5-17)15-33-19-10-6-16(14-31)7-11-19/h1-13,21,31-32H,14-15H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol has a molecular weight of 486.41 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(hydroxymethyl)phenoxy]-1-phenylethoxy]phenyl]propan-2-ol is sourced from PubChem (CID 11648771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).