1-(Benzo[d][1,3]dioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
Basic information
- CAS
87723-99-7- Standard SMILES
COc1ccc(C(=O)CC(=O)c2ccc3c(c2)OCO3)cc1- InChIKey
RLRPSGBCNOXRCF-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- 1-(Benzo[d][1,3]dioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
Names & synonyms
87723-99-71-(Benzo[d][1,3]dioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dioneSCHEMBL26624014DTXSID005328961-(2H-1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dioneMFCD34597151SY293248CS-0457716
Database identifiers
- CAS
87723-99-7- PubChem CID
- 13263263
- DTXSID
DTXSID00532896
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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