4-methoxy-3-(2,2,2-trifluoroethoxy)phenol

C9H9F3O3 — CID 167312142

IUPAC4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
SMILESCOc1ccc(O)cc1OCC(F)(F)F
InChIInChI=1S/C9H9F3O3/c1-14-7-3-2-6(13)4-8(7)15-5-9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyDWUFSDRGVZDMRM-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.34
Rot. Bonds3

About 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol

4-methoxy-3-(2,2,2-trifluoroethoxy)phenol (PubChem CID 167312142) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol.

Molecular Properties

Compound Name4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
PubChem CID167312142
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
SMILESCOc1ccc(O)cc1OCC(F)(F)F
InChIInChI=1S/C9H9F3O3/c1-14-7-3-2-6(13)4-8(7)15-5-9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyDWUFSDRGVZDMRM-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
CID 166611037
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol?
The IUPAC name of 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol (CID 167312142) is 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol.
What is the SMILES notation for 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol?
The canonical SMILES for 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol is COc1ccc(O)cc1OCC(F)(F)F.
What is the InChIKey of 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol?
The InChIKey is DWUFSDRGVZDMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3/c1-14-7-3-2-6(13)4-8(7)15-5-9(10,11)12/h2-4,13H,5H2,1H3.
What are the key properties of 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol?
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol has a molecular weight of 222.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2,2,2-trifluoroethoxy)phenol is sourced from PubChem (CID 167312142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).