Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate

HCID 249268

Notes Reactions

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Basic information

CAS: 24744-96-5
Standard SMILES: CCOC(=O)C(C)C(O)c1ccccc1
InChIKey: DBYGIIOOKKCUKJ-UHFFFAOYSA-N
Molecular formula: C12H16O3
Average molar mass: 208.25 g/mol
Monoisotopic mass: 208.10994437

Names & identifiers

Preferred name: Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate
IUPAC: ethyl 3-hydroxy-2-methyl-3-phenylpropanoate

Names & synonyms

ethyl 3-hydroxy-2-methyl-3-phenylpropanoate24744-96-5DTXSID50290212RefChem:343435DTXCID80241358SCHEMBL9126861beta-hydroxy alpha-methylhydrocinnamic acid, ethyl esterNSC67357NSC-67357ethyl 3-phenyl-3-hydroxy-2-methylpropionateethyl 3-hydroxy-2-methyl-3-phenyl-propanoate3-hydroxy-2-methyl-3-phenyl-propionic acid ethyl ester

Database identifiers

CAS: 24744-96-5
PubChem CID: 249268
DTXSID: DTXSID50290212
Nikkaji: J956.165J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 197

Related reactions

2 records

New reaction record

HRID 22061As productuspto-grants-1995_06

HRID 2315471As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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