ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate

C11H11F3O3 — CID 134638965

IUPACethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-2-17-9(16)6-7-4-3-5-8(15)10(7)11(12,13)14/h3-5,15H,2,6H2,1H3
InChIKeyBLBZWHVBDWTRFB-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.52
Rot. Bonds3

About ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate

ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate (PubChem CID 134638965) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate
PubChem CID134638965
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Nameethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-2-17-9(16)6-7-4-3-5-8(15)10(7)11(12,13)14/h3-5,15H,2,6H2,1H3
InChIKeyBLBZWHVBDWTRFB-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3'-Hydroxyphenylacetic acid
CID 12122
4-Hydroxy-o-toluic acid
CID 68475
Ethyl 2,5-Dihydroxyphenylacetate
CID 297396
Ethyl 3-(2-hydroxyphenyl)propanoate
CID 12263583
Methyl 3-Hydroxyphenylacetate
CID 39129
Methyl 4-hydroxy-2-methylbenzoate
CID 12351986
3-Hydroxyphenylacetate
CID 6950813
2-(2-Hydroxyphenyl)acetic acid ethyl ester
CID 521075
Ethyl (3-Hydroxyphenyl)acetate
CID 572437
2-(3-Hydroxyphenyl)propionic acid, (+-)-
CID 12446853
3-(3-Hydroxy-2-(hydroxymethyl)phenyl)propanoic acid
CID 44566952
Methyl 2-(2,5-dihydroxyphenyl)acetate
CID 13790504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate (CID 134638965) is ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1cccc(O)c1C(F)(F)F.
What is the InChIKey of ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate?
The InChIKey is BLBZWHVBDWTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-2-17-9(16)6-7-4-3-5-8(15)10(7)11(12,13)14/h3-5,15H,2,6H2,1H3.
What are the key properties of ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate?
ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate has a molecular weight of 248.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-2-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 134638965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).