2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol

C14H11F3O3 — CID 117221218

IUPAC2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESOc1ccc(OCc2ccc(C(F)(F)F)cc2O)cc1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)10-2-1-9(13(19)7-10)8-20-12-5-3-11(18)4-6-12/h1-7,18-19H,8H2
InChIKeyKMYXYAKQMJEZQF-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.70
Rot. Bonds3

About 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol

2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol (PubChem CID 117221218) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
PubChem CID117221218
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESOc1ccc(OCc2ccc(C(F)(F)F)cc2O)cc1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)10-2-1-9(13(19)7-10)8-20-12-5-3-11(18)4-6-12/h1-7,18-19H,8H2
InChIKeyKMYXYAKQMJEZQF-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-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)benzoic acid
CID 117221220
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008
4-(trifluoromethyl)(18F)phenol
CID 71660610

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol (CID 117221218) is 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol is Oc1ccc(OCc2ccc(C(F)(F)F)cc2O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is KMYXYAKQMJEZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c15-14(16,17)10-2-1-9(13(19)7-10)8-20-12-5-3-11(18)4-6-12/h1-7,18-19H,8H2.
What are the key properties of 2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol?
2-[(4-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-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117221218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).