ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate

C11H11F3O4 — CID 117414481

IUPACethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C11H11F3O4/c1-2-18-10(17)9(16)7-4-3-6(5-8(7)15)11(12,13)14/h3-5,9,15-16H,2H2,1H3
InChIKeyXCAJRKCVZLYNQY-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.01
Rot. Bonds3

About ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate

ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate (PubChem CID 117414481) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
PubChem CID117414481
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Nameethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C11H11F3O4/c1-2-18-10(17)9(16)7-4-3-6(5-8(7)15)11(12,13)14/h3-5,9,15-16H,2H2,1H3
InChIKeyXCAJRKCVZLYNQY-UHFFFAOYSA-N
XLogP2.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108849
ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
CID 15446383
ethyl 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
CID 117439261
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
ethyl (3R)-3-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoate
CID 171207391
3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828607
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
ethyl 2-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacetate
CID 104571404
ethyl 4-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171898528
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate (CID 117414481) is ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate is CCOC(=O)C(O)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate?
The InChIKey is XCAJRKCVZLYNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-2-18-10(17)9(16)7-4-3-6(5-8(7)15)11(12,13)14/h3-5,9,15-16H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate?
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate has a molecular weight of 264.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 117414481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).