Basic information
- Standard SMILES
COCCOc1ccc(C#Cc2ccc3c(c2)OCC(C)(C)CO3)cc1- InChIKey
PAZNARNUBQVSDY-UHFFFAOYSA-N- Molecular formula
- C22H24O4
- Average molar mass
- 352.4 g/mol
Names & identifiers
- Preferred name
- 7-[4-(2-Methoxy-ethoxy)-phenylethynyl]-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine
- IUPAC
- 7-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine
Names & synonyms
SCHEMBL5048237PAZNARNUBQVSDY-UHFFFAOYSA-N7-[4-(2-Methoxy-ethoxy)-phenylethynyl]-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine
Database identifiers
- PubChem CID
- 69292973
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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