2-[4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-3,4,4-trimethyl-4,5-dihydro-oxazolium iodide

HCID 67053436

Notes Reactions

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Basic information

Standard SMILES: COc1cc(C2=[N+](C)C(C)(C)CO2)c(C(C)Cc2ccccc2)cc1OC.[I-]
InChIKey: UKCFDLWUVQCPFD-UHFFFAOYSA-M
Molecular formula: C23H30INO3
Average molar mass: 495.4 g/mol

Names & identifiers

Preferred name: 2-[4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-3,4,4-trimethyl-4,5-dihydro-oxazolium iodide
IUPAC: 2-[4,5-dimethoxy-2-(1-phenylpropan-2-yl)phenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide

Names & synonyms

SCHEMBL1494123UKCFDLWUVQCPFD-UHFFFAOYSA-M2-[4,5-dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-3,4,4-trimethyl-4,5-dihydro-oxazolium iodide

Database identifiers

PubChem CID: 67053436

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 524

Related reactions

8 records

New reaction record

HRID 38317As productuspto-grants-2013_09

HRID 38318As reactantuspto-grants-2013_09

HRID 81733As productuspto-grants-2014_09

HRID 81734As reactantuspto-grants-2014_09

HRID 1677234As productuspto-grants-2011_08

HRID 1677235As reactantuspto-grants-2011_08

HRID 2266059As productuspto-grants-2010_12

HRID 2266060As reactantuspto-grants-2010_12

Compound notes

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