ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate

C16H13F3O4 — CID 134633451

IUPACethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
SMILESCCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)ccc1O
InChIInChI=1S/C16H13F3O4/c1-2-22-15(21)12-9-10(7-8-13(12)20)11-5-3-4-6-14(11)23-16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyWYAPEXFTZCEUPY-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.13
Rot. Bonds4

About ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate

ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate (PubChem CID 134633451) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
PubChem CID134633451
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Nameethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
SMILESCCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)ccc1O
InChIInChI=1S/C16H13F3O4/c1-2-22-15(21)12-9-10(7-8-13(12)20)11-5-3-4-6-14(11)23-16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyWYAPEXFTZCEUPY-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633108
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethyl)phenyl]benzoate
CID 134622584
ethyl 3-amino-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 175004873
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
1-[5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroisoindol-2-yl]propan-1-one
CID 146286972
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate?
The IUPAC name of ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate (CID 134633451) is ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate.
What is the SMILES notation for ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate?
The canonical SMILES for ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate is CCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)ccc1O.
What is the InChIKey of ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate?
The InChIKey is WYAPEXFTZCEUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c1-2-22-15(21)12-9-10(7-8-13(12)20)11-5-3-4-6-14(11)23-16(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate?
ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate has a molecular weight of 326.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate is sourced from PubChem (CID 134633451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).