ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate

C13H17FO3 — CID 117353289

IUPACethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C(C)C)ccc1F
InChIInChI=1S/C13H17FO3/c1-4-17-13(16)12(15)10-7-9(8(2)3)5-6-11(10)14/h5-8,12,15H,4H2,1-3H3
InChIKeyCKIIXKISBQQQKN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate

ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate (PubChem CID 117353289) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
PubChem CID117353289
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C(C)C)ccc1F
InChIInChI=1S/C13H17FO3/c1-4-17-13(16)12(15)10-7-9(8(2)3)5-6-11(10)14/h5-8,12,15H,4H2,1-3H3
InChIKeyCKIIXKISBQQQKN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,3-difluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398914
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 3-(2-amino-5-propan-2-ylphenyl)-2,3-dihydroxypropanoate
CID 171866516
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 3-(3,4-difluorophenyl)-2-hydroxybutanoate
CID 66287955
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
CID 137495372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate (CID 117353289) is ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C(C)C)ccc1F.
What is the InChIKey of ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate?
The InChIKey is CKIIXKISBQQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-17-13(16)12(15)10-7-9(8(2)3)5-6-11(10)14/h5-8,12,15H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate?
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate has a molecular weight of 240.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117353289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).