2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol

C19H18F6O4 — CID 14533806

IUPAC2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C(c2ccc(OCCO)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H18F6O4/c20-18(21,22)17(19(23,24)25,13-1-5-15(6-2-13)28-11-9-26)14-3-7-16(8-4-14)29-12-10-27/h1-8,26-27H,9-12H2
InChIKeyXAFJMCUBVZTMDB-UHFFFAOYSA-N
MW424.34 g/mol
LogP3.84
Rot. Bonds8

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

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol (PubChem CID 14533806) has the molecular formula C19H18F6O4 and a molecular weight of 424.34 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
PubChem CID14533806
Molecular FormulaC19H18F6O4
Molecular Weight424.34 g/mol
Exact Mass424.11
IUPAC Name2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C(c2ccc(OCCO)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H18F6O4/c20-18(21,22)17(19(23,24)25,13-1-5-15(6-2-13)28-11-9-26)14-3-7-16(8-4-14)29-12-10-27/h1-8,26-27H,9-12H2
InChIKeyXAFJMCUBVZTMDB-UHFFFAOYSA-N
XLogP3.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol with MolForge

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Related Compounds

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]acetaldehyde
CID 88893272
2-[4-[[4-[1,1,1,3,3,3-hexafluoro-2-[4-[[4-(2-hydroxyethoxy)phenyl]methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenoxy]ethanol
CID 59344377
CID 162335780
CID 162335780
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-[2-ethyl-4-[2-[3-ethyl-4-(2-hydroxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethanol
CID 139707349
5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine
CID 88555993
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438
CID 90413070
CID 90413070
1-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 147108243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol (CID 14533806) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol is OCCOc1ccc(C(c2ccc(OCCO)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
The InChIKey is XAFJMCUBVZTMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O4/c20-18(21,22)17(19(23,24)25,13-1-5-15(6-2-13)28-11-9-26)14-3-7-16(8-4-14)29-12-10-27/h1-8,26-27H,9-12H2.
What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol has a molecular weight of 424.34 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol is sourced from PubChem (CID 14533806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).