[6-[1-(4-Methoxyphenyl)ethyl]-1,3-benzodioxol-5-yl] acetate
Basic information
- CAS
71712-01-1- Standard SMILES
COc1ccc(C(C)c2cc3c(cc2OC(C)=O)OCO3)cc1- InChIKey
WJWZERQIBARMMW-UHFFFAOYSA-N- Molecular formula
- C18H18O5
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11542367
Names & identifiers
- Preferred name
- [6-[1-(4-Methoxyphenyl)ethyl]-1,3-benzodioxol-5-yl] acetate
- IUPAC
- [6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxol-5-yl] acetate
Names & synonyms
71712-01-1[6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxol-5-yl] acetateNSC350094CHEMBL298372DTXSID70319752NSC-3500946-[1-(4-METHOXYPHENYL)ETHYL]-2H-1,3-BENZODIOXOL-5-YL ACETATE
Database identifiers
- CAS
71712-01-1- PubChem CID
- 336330
- DTXSID
DTXSID70319752- ChEMBL
CHEMBL298372
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
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Related reactions
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Compound notes
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