4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol

C10H11F3O3 — CID 166611038

IUPAC4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
SMILESCOCCOc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H11F3O3/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6,14H,4-5H2,1H3
InChIKeyBGTVGCZUZHESEC-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.44
Rot. Bonds4

About 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol

4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol (PubChem CID 166611038) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
PubChem CID166611038
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
SMILESCOCCOc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H11F3O3/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6,14H,4-5H2,1H3
InChIKeyBGTVGCZUZHESEC-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
CID 166611037
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)pyridine
CID 121389108
1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 154985854
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
CID 166611039
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
4-(bromomethyl)-1-(3-methoxypropoxy)-2-(trifluoromethyl)benzene
CID 63320546
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
CID 100784401
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol (CID 166611038) is 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol is COCCOc1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol?
The InChIKey is BGTVGCZUZHESEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol?
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol has a molecular weight of 236.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 166611038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).