1-(4-Benzyloxyphenyl)-heptane-1,3-dione
Basic information
- Standard SMILES
CCCCC(=O)CC(=O)c1ccc(OCc2ccccc2)cc1- InChIKey
CPRJLMHVIFMUCD-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Names & identifiers
- Preferred name
- 1-(4-Benzyloxyphenyl)-heptane-1,3-dione
- IUPAC
- 1-(4-phenylmethoxyphenyl)heptane-1,3-dione
Names & synonyms
SCHEMBL584524CPRJLMHVIFMUCD-UHFFFAOYSA-N1-(4-Benzyloxyphenyl)heptane-1,3-dione1-(4-benzyloxyphenyl)-heptane-1,3-dioneDB-1613661137261-88-1
Database identifiers
- PubChem CID
- 66733697
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Related reactions
5 records
Compound notes
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