ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate

C11H11F3O4 — CID 134638973

IUPACethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(O)c(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-2-17-10(16)6-7-3-4-8(15)9(5-7)18-11(12,13)14/h3-5,15H,2,6H2,1H3
InChIKeyBWVSWWPMUYJHNE-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate

ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate (PubChem CID 134638973) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
PubChem CID134638973
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Nameethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(O)c(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-2-17-10(16)6-7-3-4-8(15)9(5-7)18-11(12,13)14/h3-5,15H,2,6H2,1H3
InChIKeyBWVSWWPMUYJHNE-UHFFFAOYSA-N
XLogP2.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
CID 170998065
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
CID 134633504
ethyl 2-[3-amino-4-bromo-5-(trifluoromethoxy)phenyl]acetate
CID 134632780
N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide
CID 166390956
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
ethyl 2-[3-cyano-4-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 134653977
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate (CID 134638973) is ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate is CCOC(=O)Cc1ccc(O)c(OC(F)(F)F)c1.
What is the InChIKey of ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate?
The InChIKey is BWVSWWPMUYJHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-2-17-10(16)6-7-3-4-8(15)9(5-7)18-11(12,13)14/h3-5,15H,2,6H2,1H3.
What are the key properties of ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate?
ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate has a molecular weight of 264.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 134638973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).