2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol

C22H24F6O4 — CID 59201126

IUPAC2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCO)cc1
InChIInChI=1S/C22H24F6O4/c1-3-4-16-13-17(20(21(23,24)25,22(26,27)28)31-14-30-2)7-10-19(16)32-18-8-5-15(6-9-18)11-12-29/h5-10,13,29H,3-4,11-12,14H2,1-2H3
InChIKeyIPROHEYIULLECF-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.91
Rot. Bonds10

About 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol

2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol (PubChem CID 59201126) has the molecular formula C22H24F6O4 and a molecular weight of 466.42 g/mol. Its IUPAC name is 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol
PubChem CID59201126
Molecular FormulaC22H24F6O4
Molecular Weight466.42 g/mol
Exact Mass466.16
IUPAC Name2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCO)cc1
InChIInChI=1S/C22H24F6O4/c1-3-4-16-13-17(20(21(23,24)25,22(26,27)28)31-14-30-2)7-10-19(16)32-18-8-5-15(6-9-18)11-12-29/h5-10,13,29H,3-4,11-12,14H2,1-2H3
InChIKeyIPROHEYIULLECF-UHFFFAOYSA-N
XLogP5.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol (CID 59201126) is 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol is CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol?
The InChIKey is IPROHEYIULLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6O4/c1-3-4-16-13-17(20(21(23,24)25,22(26,27)28)31-14-30-2)7-10-19(16)32-18-8-5-15(6-9-18)11-12-29/h5-10,13,29H,3-4,11-12,14H2,1-2H3.
What are the key properties of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol?
2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol has a molecular weight of 466.42 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]ethanol is sourced from PubChem (CID 59201126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).