1,3-Benzodioxol-5-ol, 6-[1-(3,4,5-trimethoxyphenyl)ethyl]-
Basic information
- CAS
109336-12-1- Standard SMILES
COc1cc(C(C)c2cc3c(cc2O)OCO3)cc(OC)c1OC- InChIKey
IISFNAFZYSGNEP-UHFFFAOYSA-N- Molecular formula
- C18H20O6
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.12598835
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ol, 6-[1-(3,4,5-trimethoxyphenyl)ethyl]-
- IUPAC
- 6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-ol
Names & synonyms
1,3-Benzodioxol-5-ol, 6-[1-(3,4,5-trimethoxyphenyl)ethyl]-109336-12-1NSC363959CHEMBL5490715SCHEMBL24598727DTXSID10320746NSC-3639591, 6-[1-(3,4,5-trimethoxyphenyl)ethyl]-6-[1-(3,4,5-TRIMETHOXYPHENYL)ETHYL]-2H-1,3-BENZODIOXOL-5-OL
Database identifiers
- CAS
109336-12-1- PubChem CID
- 339044
- DTXSID
DTXSID10320746- ChEMBL
CHEMBL5490715
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…