ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate

C13H17FO3 — CID 137495372

IUPACethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C(C)C)ccc1F
InChIInChI=1S/C13H17FO3/c1-4-16-13(15)8-17-12-7-10(9(2)3)5-6-11(12)14/h5-7,9H,4,8H2,1-3H3
InChIKeyFEKOYAHSDIZYAB-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate

ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate (PubChem CID 137495372) 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-ylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
PubChem CID137495372
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C(C)C)ccc1F
InChIInChI=1S/C13H17FO3/c1-4-16-13(15)8-17-12-7-10(9(2)3)5-6-11(12)14/h5-7,9H,4,8H2,1-3H3
InChIKeyFEKOYAHSDIZYAB-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
CID 59134643
5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid
CID 59134726
methyl 6-(2-fluoro-5-propan-2-ylphenoxy)hexanoate
CID 59134665
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
ethyl 2-[2-(bromomethyl)-5-fluorophenoxy]acetate
CID 21035356
ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate
CID 130325605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate?
The IUPAC name of ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate (CID 137495372) is ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate is CCOC(=O)COc1cc(C(C)C)ccc1F.
What is the InChIKey of ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate?
The InChIKey is FEKOYAHSDIZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-16-13(15)8-17-12-7-10(9(2)3)5-6-11(12)14/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate?
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate has a molecular weight of 240.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 137495372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).