Ethyl 2-(2,3,5,6-tetramethylphenoxy)butanoate

HCID 51583

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Basic information

CAS: 72462-75-0
Standard SMILES: CCOC(=O)C(CC)Oc1c(C)c(C)cc(C)c1C
InChIKey: QRYSQUUAAKGSMM-UHFFFAOYSA-N
Molecular formula: C16H24O3
Average molar mass: 264.36 g/mol
Monoisotopic mass: 264.17254462

Names & identifiers

Preferred name: Ethyl 2-(2,3,5,6-tetramethylphenoxy)butanoate
IUPAC: ethyl 2-(2,3,5,6-tetramethylphenoxy)butanoate

Names & synonyms

ethyl 2-(2,3,5,6-tetramethylphenoxy)butanoate72462-75-0DTXSID20993268RefChem:1084753DTXCID9014203192-(2,3,5,6-Tetramethylphenoxy)butyric acid ethyl esterBRN 2466125BUTYRIC ACID, 2-(2,3,5,6-TETRAMETHYLPHENOXY)-, ETHYL ESTER

Database identifiers

CAS: 72462-75-0
PubChem CID: 51583
DTXSID: DTXSID20993268
Nikkaji: J67.410I

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 276

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