Basic information
- CAS
6241-71-0- Standard SMILES
COc1cc(Cc2ccc3c(c2)OCO3)cc(OC)c1OC- InChIKey
VAMVJLVFVYDZBM-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542367
Names & identifiers
- Preferred name
- 5-[(3,4,5-Trimethoxyphenyl)methyl]-1,3-benzodioxole
- IUPAC
- 5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole
Names & synonyms
CHEMBL820246241-71-0NSC2806785-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxoleDTXSID70314101BDBM50212301NSC-2806785-[(3,4,5-Trimethoxyphenyl)methyl]-2H-1,3-benzodioxole
Database identifiers
- CAS
6241-71-0- PubChem CID
- 322607
- DTXSID
DTXSID70314101- ChEMBL
CHEMBL82024
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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