Basic information
- CAS
1170034-48-6- Standard SMILES
CC1(C)OC(=O)c2ccc(OCc3ccccc3)cc2O1- InChIKey
LYAYSZTUVDFCGA-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- 7-Benzyloxy-2,2-dimethyl-benzo[1,3]dioxin-4-one
- IUPAC
- 2,2-dimethyl-7-phenylmethoxy-1,3-benzodioxin-4-one
Names & synonyms
7-Benzyloxy-2,2-dimethyl-benzo[1,3]dioxin-4-oneSCHEMBL2761859LYAYSZTUVDFCGA-UHFFFAOYSA-NDTXSID1012060821170034-48-62,2-Dimethyl-7-(phenylmethoxy)-4H-1,3-benzodioxin-4-one7-(Benzyloxy)-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one
Database identifiers
- CAS
1170034-48-6- PubChem CID
- 42637481
- DTXSID
DTXSID101206082- Nikkaji
- J3.112.315A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
2 records
Compound notes
Loading…