5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(2-hydroxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-
Basic information
- CAS
40681-01-4- Standard SMILES
COc1c(C(O)CCc2ccccc2O)c(OCCN2CCOCC2)c(OC)c2occc12- InChIKey
RCEUYVFZGBCCOQ-UHFFFAOYSA-N- Molecular formula
- C25H31NO7
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.21005233
Names & identifiers
- Preferred name
- 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(2-hydroxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-
- IUPAC
- 2-[3-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
- English name
- 4,7-Dimethoxy-α-[2-(2-hydroxyphenyl)ethyl]-6-[2-(4-morpholinyl)ethoxy]-5-benzofuranmethanol
- Molecular formula
- C25H31NO7
- Molecular weight
- 457.51614
Names & synonyms
BRN 095059540681-01-4RefChem:3011895-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(2-hydroxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(2-hydroxyphenyl)ethyl)-6- (2-(4-morpholinyl)ethoxy)-DTXSID609610822-(3-{4,7-dimethoxy-6-[2-(morpholin-4-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenol4,7-Dimethoxy-α-[2-(2-hydroxyphenyl)ethyl]-6-[2-(4-morpholinyl)ethoxy]-5-benzofuranmethanol5-Benzofuranmethanol, α-[2-(2-hydroxyphenyl)ethyl]-4,7-dimethoxy-6-[2-(4-morpholinyl)ethoxy]-
Database identifiers
- CAS
40681-01-4- PubChem CID
- 38609
- DTXSID
DTXSID60961082- Nikkaji
- J76.287C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 654.1 · 654.1±55.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.30(Predicted)
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Compound notes
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