Basic information
- CAS
40680-96-4- Standard SMILES
COc1c(C(O)CCc2ccccc2O)c(OCCN(C)C)c(OC)c2occc12- InChIKey
ZMIDRJWSHOJQLB-UHFFFAOYSA-N- Molecular formula
- C23H29NO6
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.19948764
Names & identifiers
- Preferred name
- 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(2-hydroxyphenyl)ethyl)-
- IUPAC
- 2-[3-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
- English name
- 4,7-Dimethoxy-6-[2-(dimethylamino)ethoxy]-α-[2-(2-hydroxyphenyl)ethyl]-5-benzofuranmethanol
- Molecular formula
- C23H29NO6
- Molecular weight
- 415.47946
Names & synonyms
BRN 166969540680-96-45-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(2-hydroxyphenyl)ethyl)-5-17-08-00471 (Beilstein Handbook Reference)RefChem:301176DTXSID109610772-(3-{6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-hydroxypropyl)phenol4,7-Dimethoxy-6-[2-(dimethylamino)ethoxy]-α-[2-(2-hydroxyphenyl)ethyl]-5-benzofuranmethanol5-Benzofuranmethanol, 6-[2-(dimethylamino)ethoxy]-α-[2-(2-hydroxyphenyl)ethyl]-4,7-dimethoxy-
Database identifiers
- CAS
40680-96-4- PubChem CID
- 38604
- DTXSID
DTXSID10961077- Nikkaji
- J76.280F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 593.7 · 593.7±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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