2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol

C14H11F3O3 — CID 117221115

IUPAC2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESOc1cccc(OCc2ccc(C(F)(F)F)cc2O)c1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)10-5-4-9(13(19)6-10)8-20-12-3-1-2-11(18)7-12/h1-7,18-19H,8H2
InChIKeyXTHYTYPIURCOGL-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.70
Rot. Bonds3

About 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol

2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol (PubChem CID 117221115) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
PubChem CID117221115
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESOc1cccc(OCc2ccc(C(F)(F)F)cc2O)c1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)10-5-4-9(13(19)6-10)8-20-12-3-1-2-11(18)7-12/h1-7,18-19H,8H2
InChIKeyXTHYTYPIURCOGL-UHFFFAOYSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
CID 146557507
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol (CID 117221115) is 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol is Oc1cccc(OCc2ccc(C(F)(F)F)cc2O)c1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is XTHYTYPIURCOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c15-14(16,17)10-5-4-9(13(19)6-10)8-20-12-3-1-2-11(18)7-12/h1-7,18-19H,8H2.
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol has a molecular weight of 284.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117221115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).