5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-piperidinyl)ethoxy)-
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Basic information
- CAS
40681-05-8- Standard SMILES
COc1c(C(O)CCc2cccc(O)c2)c(OCCN2CCCCC2)c(OC)c2occc12- InChIKey
HHCOPHHIQMZKMN-UHFFFAOYSA-N- Molecular formula
- C26H33NO6
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.23078777
Names & identifiers
- Preferred name
- 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-piperidinyl)ethoxy)-
- IUPAC
- 3-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
- English name
- 4,7-Dimethoxy-α-[2-(3-hydroxyphenyl)ethyl]-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranmethanol
- Molecular formula
- C26H33NO6
- Molecular weight
- 455.54332
Names & synonyms
40681-05-8RefChem:10726505-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-piperidinyl)ethoxy)-BRN 12762095-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6- (2-(1-piperidinyl)ethoxy)-DTXSID009610863-(3-{4,7-Dimethoxy-6-[2-(piperidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenol4,7-Dimethoxy-α-[2-(3-hydroxyphenyl)ethyl]-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranmethanol5-Benzofuranmethanol, α-[2-(3-hydroxyphenyl)ethyl]-4,7-dimethoxy-6-[2-(1-piperidinyl)ethoxy]-
Database identifiers
- CAS
40681-05-8- PubChem CID
- 38613
- DTXSID
DTXSID00961086- Nikkaji
- J76.291A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Boiling point
- 640.7 · 640.7±55.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 9.98 · 9.98±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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