4-hydroxy-5-(4-isobutylphenyl)-3-phenylmethoxy-5-(1-propyl)-2(5H)-furanone

HCID 70247352

Notes Reactions

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Basic information

Standard SMILES: CCCC1(c2ccc(CC(C)C)cc2)OC(=O)C(OCc2ccccc2)=C1O
InChIKey: AYQAPOPKHOOTTA-UHFFFAOYSA-N
Molecular formula: C24H28O4
Average molar mass: 380.5 g/mol

Names & identifiers

Preferred name: 4-hydroxy-5-(4-isobutylphenyl)-3-phenylmethoxy-5-(1-propyl)-2(5H)-furanone
IUPAC: 4-hydroxy-5-[4-(2-methylpropyl)phenyl]-3-phenylmethoxy-5-propylfuran-2-one

Names & synonyms

SCHEMBL7985445AYQAPOPKHOOTTA-UHFFFAOYSA-N4-hydroxy-5-(4-isobutylphenyl)-3-phenylmethoxy-5-(1 -propyl)-2(5H)-furanone4-hydroxy-5-(4-isobutylphenyl)-3-phenylmethoxy-5-(1-propyl)-2(5H)-furanone

Database identifiers

PubChem CID: 70247352

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 553

Related reactions

7 records

New reaction record

HRID 369151As productuspto-grants-2000_10

HRID 369152As reactantuspto-grants-2000_10

HRID 612561As productuspto-grants-1999_12

HRID 612562As reactantuspto-grants-1999_12

HRID 1385016As productuspto-grants-2001_07

HRID 1385017As reactantuspto-grants-2001_07

HRID 2136832As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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