1-(3-Methoxyisoxazol-5-YL)ethan-1-OL

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Basic information

Standard SMILES: COc1cc(C(C)O)on1
InChIKey: IMQBNBRDISHLEL-UHFFFAOYSA-N
Molecular formula: C6H9NO3
Average molar mass: 143.14 g/mol
Monoisotopic mass: 143.05824315

Names & identifiers

Preferred name: 1-(3-Methoxyisoxazol-5-YL)ethan-1-OL
IUPAC: 1-(3-methoxy-1,2-oxazol-5-yl)ethanol

Names & synonyms

1-(3-METHOXYISOXAZOL-5-YL)ETHAN-1-OL105175-06-2MFCD30166254SCHEMBL8599493IMQBNBRDISHLEL-UHFFFAOYSA-N3-methoxy-5-(1-hydroxyethyl)-isoxazole1-(3-methoxy-1,2-oxazol-5-yl)ethanol1-(3-Methoxyisoxazol-5-yl)ethan-1-ol, 90%

Database identifiers

PubChem CID: 21292279

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 55.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 109

Related reactions

1 records

New reaction record

HRID 622842As reactantuspto-grants-1988_09

Compound notes

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