Acetophenone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-3'-methoxy-

HCID 29919

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Basic information

CAS: 20041-40-1
Standard SMILES: COc1cc(C(C)=O)ccc1OCC(O)CNC(C)C
InChIKey: AGLQWIXYOOSQDY-UHFFFAOYSA-N
Molecular formula: C15H23NO4
Average molar mass: 281.35 g/mol
Monoisotopic mass: 281.16270821

Names & identifiers

Preferred name: Acetophenone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-3'-methoxy-
IUPAC: 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]ethanone
English name: 4'-[2-Hydroxy-3-(isopropylamino)propoxy]-3'-methoxyacetophenone
Molecular formula: C15H23NO4
Molecular weight: 281.35

Names & synonyms

20041-40-1BRN 25943374'-(2-Hydroxy-3-(isopropylamino)propoxy)-3'-methoxy-acetophenoneACETOPHENONE, 4'-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-3'-METHOXY-RefChem:316946DTXSID509420471-(4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}-3-methoxyphenyl)ethan-1-one4'-[2-Hydroxy-3-(isopropylamino)propoxy]-3'-methoxyacetophenoneEthanone, 1-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-methoxyphenyl]-

Database identifiers

CAS: 20041-40-1
PubChem CID: 29919
DTXSID: DTXSID50942047
Nikkaji: J90.745F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 296

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