Ethyl 2-(4-fluoro-2-methylphenoxy)-2-methylpropanoate

HCID 67405334

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C(C)(C)Oc1ccc(F)cc1C
InChIKey: WUIJVFGKUQOTER-UHFFFAOYSA-N
Molecular formula: C13H17FO3
Average molar mass: 240.27 g/mol

Names & identifiers

Preferred name: Ethyl 2-(4-fluoro-2-methylphenoxy)-2-methylpropanoate
IUPAC: ethyl 2-(4-fluoro-2-methylphenoxy)-2-methylpropanoate

Names & synonyms

SCHEMBL2431952WUIJVFGKUQOTER-UHFFFAOYSA-Nethyl 2-(4-fluoro-2-methylphenoxy)-2-methylpropanoate

Database identifiers

PubChem CID: 67405334

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 265

Related reactions

10 records

New reaction record

HRID 123663As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 445838As productuspto-grants-2013_07

HRID 445839As reactantuspto-grants-2013_07

HRID 1557908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1876396As productuspto-grants-2012_11

HRID 1876397As reactantuspto-grants-2012_11

HRID 1909553As productuspto-grants-2013_12

HRID 1909554As reactantuspto-grants-2013_12

Compound notes

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