1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol
Basic information
- CAS
93202-94-9- Standard SMILES
COc1cc(C2NCC(O)c3cc(O)ccc32)cc(OC)c1OC- InChIKey
CVFNGTJMIOZQEP-UHFFFAOYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Names & synonyms
1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol93202-94-9RefChem:2144311-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diolDTXSID801166154
Database identifiers
- CAS
93202-94-9- PubChem CID
- 51615
- DTXSID
DTXSID801166154
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…