1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone

HCID 28256

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Basic information

CAS: 17086-21-4
Standard SMILES: CC(=O)c1ccc(OCCO)cc1O
InChIKey: NUHWDRNFGDYOBG-UHFFFAOYSA-N
Molecular formula: C10H12O4
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.07355886

Names & identifiers

Preferred name: 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone
IUPAC: 1-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone

Names & synonyms

1-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone17086-21-4CGM96M7KJPAcetophenone, 2'-hydroxy-4'-(2-hydroxyethoxy)-CHEMBL187170Ethanone, 1-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-DTXSID202748474-(beta-Hydroxyethoxy)-2-hydroxyacetophenone1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethan-1-one

Database identifiers

CAS: 17086-21-4
PubChem CID: 28256
DTXSID: DTXSID20274847
ChEMBL: CHEMBL187170
UNII: CGM96M7KJP

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 193

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