2-[[3-(trifluoromethyl)phenoxy]methyl]phenol

C14H11F3O2 — CID 117221120

IUPAC2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
SMILESOc1ccccc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)18/h1-8,18H,9H2
InChIKeyBAIABQDFSCBELO-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.99
Rot. Bonds3

About 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol

2-[[3-(trifluoromethyl)phenoxy]methyl]phenol (PubChem CID 117221120) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
PubChem CID117221120
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
SMILESOc1ccccc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)18/h1-8,18H,9H2
InChIKeyBAIABQDFSCBELO-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
2-hydroxy-5-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 11723882
3-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117219656
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
CID 117243705
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol?
The IUPAC name of 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol (CID 117221120) is 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol is Oc1ccccc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol?
The InChIKey is BAIABQDFSCBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)18/h1-8,18H,9H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol?
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol has a molecular weight of 268.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 117221120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).