[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol

C16H12F6O4 — CID 173278884

IUPAC[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol
SMILESOC(OCc1cccc(OC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F6O4/c17-15(18,19)25-12-6-4-11(5-7-12)14(23)24-9-10-2-1-3-13(8-10)26-16(20,21)22/h1-8,14,23H,9H2
InChIKeyUCSBZELJJVHYTQ-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.69
Rot. Bonds6

About [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol

[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol (PubChem CID 173278884) has the molecular formula C16H12F6O4 and a molecular weight of 382.26 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol
PubChem CID173278884
Molecular FormulaC16H12F6O4
Molecular Weight382.26 g/mol
Exact Mass382.06
IUPAC Name[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol
SMILESOC(OCc1cccc(OC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F6O4/c17-15(18,19)25-12-6-4-11(5-7-12)14(23)24-9-10-2-1-3-13(8-10)26-16(20,21)22/h1-8,14,23H,9H2
InChIKeyUCSBZELJJVHYTQ-UHFFFAOYSA-N
XLogP4.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.69
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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Related Compounds

1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]propanoic acid
CID 22261415
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol?
The IUPAC name of [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol (CID 173278884) is [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol is OC(OCc1cccc(OC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol?
The InChIKey is UCSBZELJJVHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O4/c17-15(18,19)25-12-6-4-11(5-7-12)14(23)24-9-10-2-1-3-13(8-10)26-16(20,21)22/h1-8,14,23H,9H2.
What are the key properties of [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol?
[4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol has a molecular weight of 382.26 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methoxy]methanol is sourced from PubChem (CID 173278884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).