[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol

C15H13F3O3 — CID 115969593

IUPAC[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3O3/c16-15(17,18)21-14-7-5-13(6-8-14)20-10-12-3-1-11(9-19)2-4-12/h1-8,19H,9-10H2
InChIKeyQBGHNFGBXHXKIU-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.66
Rot. Bonds5

About [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol

[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol (PubChem CID 115969593) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
PubChem CID115969593
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3O3/c16-15(17,18)21-14-7-5-13(6-8-14)20-10-12-3-1-11(9-19)2-4-12/h1-8,19H,9-10H2
InChIKeyQBGHNFGBXHXKIU-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-(trifluoromethoxy)aniline
CID 4663581
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339
[4-(fluoromethoxy)phenyl]methanol
CID 54255227

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol (CID 115969593) is [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol is OCc1ccc(COc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol?
The InChIKey is QBGHNFGBXHXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c16-15(17,18)21-14-7-5-13(6-8-14)20-10-12-3-1-11(9-19)2-4-12/h1-8,19H,9-10H2.
What are the key properties of [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol?
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol has a molecular weight of 298.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol is sourced from PubChem (CID 115969593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).