Basic information
- CAS
40680-78-2- Standard SMILES
CCN(CC)CCOc1c(C(O)CCc2ccc(OC)cc2)c(OC)c2ccoc2c1OC- InChIKey
NDYPJZNDIFRLIF-UHFFFAOYSA-N- Molecular formula
- C26H35NO6
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.24643784
Names & identifiers
- Preferred name
- 5-Benzofuranmethanol, 6-(2-(diethylamino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-
- IUPAC
- 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
- English name
- 6-[2-(Diethylamino)ethoxy]-4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-5-benzofuranmethanol
- Molecular formula
- C26H35NO6
- Molecular weight
- 457.56
Names & synonyms
40680-78-2BRN 16715105-Benzofuranmethanol, 6-(2-(diethylamino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-DTXSID009610661-{6-[2-(Diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-(4-methoxyphenyl)propan-1-ol6-[2-(Diethylamino)ethoxy]-4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-5-benzofuranmethanol5-Benzofuranmethanol, 6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-
Database identifiers
- CAS
40680-78-2- PubChem CID
- 38587
- DTXSID
DTXSID00961066- Nikkaji
- J76.279B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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