Ethyl (5-chloro-2-hydroxyphenyl)acetate

HCID 69655607

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)Cc1cc(Cl)ccc1O
InChIKey: LOXCSBAKGSKTKZ-UHFFFAOYSA-N
Molecular formula: C10H11ClO3
Average molar mass: 214.64 g/mol
Monoisotopic mass: 214.0396719

Names & identifiers

Preferred name: Ethyl (5-chloro-2-hydroxyphenyl)acetate
IUPAC: ethyl 2-(5-chloro-2-hydroxyphenyl)acetate

Names & synonyms

76322-41-3ethyl (5-chloro-2-hydroxyphenyl)acetateSCHEMBL6076931LOXCSBAKGSKTKZ-UHFFFAOYSA-NDB-124658(5-chloro-2-hydroxy-phenyl)-acetic acid ethyl ester

Database identifiers

PubChem CID: 69655607
Nikkaji: J1.932.597K

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Related reactions

3 records

New reaction record

HRID 11652As reactantuspto-grants-2006_08

HRID 201753As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 488759As reactantuspto-grants-2005_12

Compound notes

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