5-benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-, oxalate (1:1) (salt)
Basic information
- CAS
40680-81-7- Standard SMILES
COc1ccc(CCC(O)c2c(OCCN3CCOCC3)c(OC)c3occc3c2OC)cc1.O=C(O)C(=O)O- InChIKey
MGMCILWMFLPMPX-UHFFFAOYSA-N- Molecular formula
- C28H35NO11
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.22101093
Names & identifiers
- Preferred name
- 5-benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-, oxalate (1:1) (salt)
- IUPAC
- 1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol;oxalic acid
Names & synonyms
40680-81-75-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-, oxalate (1:1) (salt)RefChem:301195DTXSID80961069Oxalic acid--1-{4,7-dimethoxy-6-[2-(morpholin-4-yl)ethoxy]-1-benzofuran-5-yl}-3-(4-methoxyphenyl)propan-1-ol (1/1)
Database identifiers
- CAS
40680-81-7- PubChem CID
- 218469
- DTXSID
DTXSID80961069
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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