5-Benzofuranmethanol, 6-(2-(bis(1-methylethyl)amino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-
Basic information
- CAS
40680-79-3- Standard SMILES
COc1ccc(CCC(O)c2c(OCCN(C(C)C)C(C)C)c(OC)c3occc3c2OC)cc1- InChIKey
XLYIFSCRAIIYBZ-UHFFFAOYSA-N- Molecular formula
- C28H39NO6
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.27773796
Names & identifiers
- Preferred name
- 5-Benzofuranmethanol, 6-(2-(bis(1-methylethyl)amino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-
- IUPAC
- 1-[6-[2-[di(propan-2-yl)amino]ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
- English name
- 6-[2-[Bis(1-methylethyl)amino]ethoxy]-4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-5-benzofuranmethanol
- Molecular formula
- C28H39NO6
- Molecular weight
- 485.61
Names & synonyms
BRN 167220740680-79-35-Benzofuranmethanol, 6-(2-(bis(1-methylethyl)amino)ethoxy)-4,7-dimethoxy-alpha-(2-(4-methoxyphenyl)ethyl)-RefChem:301198DTXSID609610671-(6-{2-[Di(propan-2-yl)amino]ethoxy}-4,7-dimethoxy-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-ol6-[2-[Bis(1-methylethyl)amino]ethoxy]-4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-5-benzofuranmethanol5-Benzofuranmethanol, 6-[2-[bis(1-methylethyl)amino]ethoxy]-4,7-dimethoxy-α-[2-(4-methoxyphenyl)ethyl]-
Database identifiers
- CAS
40680-79-3- PubChem CID
- 38588
- DTXSID
DTXSID60961067- Nikkaji
- J76.277F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Boiling point
- 609.3 · 609.3±55.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.20(Predicted)
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Compound notes
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