4,7-Dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(1-piperidinyl)ethoxy)-5-benzofuranmethanol
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Basic information
- CAS
40680-70-4- Standard SMILES
COc1ccc(CCC(O)c2c(OCCN3CCCCC3)c(OC)c3occc3c2OC)cc1- InChIKey
DCUIJRIPEXZKFA-UHFFFAOYSA-N- Molecular formula
- C27H35NO6
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.24643784
Names & identifiers
- Preferred name
- 4,7-Dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(1-piperidinyl)ethoxy)-5-benzofuranmethanol
- IUPAC
- 1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
- English name
- 4,7-Dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranmethanol
- Molecular formula
- C27H35NO6
- Molecular weight
- 469.5699
Names & synonyms
40680-70-4RefChem:10695494,7-Dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6-(2-(1-piperidinyl)ethoxy)-5-benzofuranmethanolBRN 12763645-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-6- (2-(1-piperidinyl)ethoxy)-DTXSID409610601-{4,7-Dimethoxy-6-[2-(piperidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-(4-methoxyphenyl)propan-1-ol4,7-Dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranmethanol5-Benzofuranmethanol, 4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-6-[2-(1-piperidinyl)ethoxy]-
Database identifiers
- CAS
40680-70-4- PubChem CID
- 38576
- DTXSID
DTXSID40961060- Nikkaji
- J76.295D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Boiling point
- 626.4 · 626.4±55.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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