ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate

C11H12F2O4 — CID 117367197

IUPACethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H12F2O4/c1-2-16-10(15)9(14)7-4-3-5-8(6-7)17-11(12)13/h3-6,9,11,14H,2H2,1H3
InChIKeyNNOVQQYHQWTUBE-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate

ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate (PubChem CID 117367197) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
PubChem CID117367197
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H12F2O4/c1-2-16-10(15)9(14)7-4-3-5-8(6-7)17-11(12)13/h3-6,9,11,14H,2H2,1H3
InChIKeyNNOVQQYHQWTUBE-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
ethyl 2-hydroxy-2-(3-pentan-3-ylphenyl)acetate
CID 117379558
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
ethyl (2R)-2-[3-(4-bromobutoxy)phenyl]-2-hydroxyacetate
CID 69352259
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
CID 117353293
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
ethyl 2-[3-(difluoromethoxy)phenyl]sulfanylacetate
CID 166669650
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate (CID 117367197) is ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(OC(F)F)c1.
What is the InChIKey of ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate?
The InChIKey is NNOVQQYHQWTUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-2-16-10(15)9(14)7-4-3-5-8(6-7)17-11(12)13/h3-6,9,11,14H,2H2,1H3.
What are the key properties of ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate?
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate has a molecular weight of 246.21 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117367197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).