ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate

C13H17FO3 — CID 117353293

IUPACethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C13H17FO3/c1-4-17-12(16)11(15)9-6-5-7-10(8-9)13(2,3)14/h5-8,11,15H,4H2,1-3H3
InChIKeyOEUVIFMJOBHIOH-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.49
Rot. Bonds4

About ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate

ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate (PubChem CID 117353293) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
PubChem CID117353293
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C13H17FO3/c1-4-17-12(16)11(15)9-6-5-7-10(8-9)13(2,3)14/h5-8,11,15H,4H2,1-3H3
InChIKeyOEUVIFMJOBHIOH-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
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ethyl 2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
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ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
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ethyl 2-hydroxy-2-phenylacetate
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ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
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ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoate
CID 60723433
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-nitro-2-[3-(trifluoromethyl)phenyl]acetate
CID 57327400
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate (CID 117353293) is ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(C(C)(C)F)c1.
What is the InChIKey of ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate?
The InChIKey is OEUVIFMJOBHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-17-12(16)11(15)9-6-5-7-10(8-9)13(2,3)14/h5-8,11,15H,4H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate?
ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate has a molecular weight of 240.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117353293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).