4-Benzyl-3-methoxyfuran-2(5H)-one
Basic information
- CAS
7478-49-1- Standard SMILES
COC1=C(Cc2ccccc2)COC1=O- InChIKey
NOILDQQGRSXPAU-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 4-Benzyl-3-methoxyfuran-2(5H)-one
- IUPAC
- 3-benzyl-4-methoxy-2H-furan-5-one
Names & synonyms
7478-49-1NSC4029324-Benzyl-3-methoxyfuran-2(5H)-oneDTXSID70323051NSC-402932
Database identifiers
- CAS
7478-49-1- PubChem CID
- 345334
- DTXSID
DTXSID70323051
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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