2-Propanol, 1-(4-allyl-2-methoxyphenoxy)-3-(isopropylamino)-
Basic information
- CAS
20041-39-8- Standard SMILES
C=CCc1ccc(OCC(O)CNC(C)C)c(OC)c1- InChIKey
ONGNXHDHNBBYML-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- 2-Propanol, 1-(4-allyl-2-methoxyphenoxy)-3-(isopropylamino)-
- IUPAC
- 1-(2-methoxy-4-prop-2-enylphenoxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- Eugenolol
- Molecular formula
- C16H25NO3
- Molecular weight
- 279.37
Names & synonyms
BRN 24702421-(4-Allyl-2-methoxyphenoxy)-3-(isopropylamino)-2-propanol20041-39-82-Propanol, 1-(4-allyl-2-methoxyphenoxy)-3-(isopropylamino)-RefChem:265772SCHEMBL21793229SCHEMBL30001190DTXSID909420461-[2-Methoxy-4-(prop-2-en-1-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-olEugenolol2-Propanol, 1-[2-methoxy-4-(2-propen-1-yl)phenoxy]-3-[(1-methylethyl)amino]-
Database identifiers
- CAS
20041-39-8- PubChem CID
- 209607
- DTXSID
DTXSID90942046- Nikkaji
- J90.385J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 418.1 · 418.1±45.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 13.89 · 13.89±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…