(E)-methyl-2-(2-((4-(2-methoxyethoxy)phenoxy)methyl)-4-chlorophenyl)-3-methoxyacrylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
872313-42-3- Standard SMILES
CO/C=C(/C(=O)OC)c1ccc(Cl)cc1COc1ccc(OCCOC)cc1- InChIKey
VQCJAJASUCFYAI-XSFVSMFZSA-N- Molecular formula
- C21H23ClO6
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1183161
Names & identifiers
- Preferred name
- (E)-methyl-2-(2-((4-(2-methoxyethoxy)phenoxy)methyl)-4-chlorophenyl)-3-methoxyacrylate
- IUPAC
- methyl (E)-2-[4-chloro-2-[[4-(2-methoxyethoxy)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
- English name
- Benzeneacetic acid, 4-chloro-2-[[4-(2-methoxyethoxy)phenoxy]methyl]-α-(methoxymethylene)-, methyl ester, (αE)-
- Molecular formula
- C21H23ClO6
- Molecular weight
- 406.86
Names & synonyms
872313-42-3(E)-methyl-2-(2-((4-(2-methoxyethoxy)phenoxy)methyl)-4-chlorophenyl)-3-methoxyacrylatemethyl (E)-2-[4-chloro-2-[[4-(2-methoxyethoxy)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoateOCT-1547VQCJAJASUCFYAI-XSFVSMFZSA-Norb1706259SCHEMBL1263754HY-U00358AKOS040744181CS-7409DA-52033T19204
Show more names
Benzeneacetic acid, 4-chloro-2-[[4-(2-methoxyethoxy)phenoxy]methyl]-α-(methoxymethylene)-, methyl ester, (αE)-
Methyl (E)-2-(4-chloro-2-((4-(2-methoxyethoxy)phenoxy)methyl)phenyl)-3-methoxyacrylate
Database identifiers
- CAS
872313-42-3- PubChem CID
- 11611173
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Boiling point
- 540.4 · 540.4±50.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
Chemistry & industry
Applications
UsesCompound 2 is an active compound used for the research of metabolic bone diseases.
Related reactions
2 records
Compound notes
Loading…