Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter
Basic information
- CAS
63439-08-7- Standard SMILES
COc1ccc(OC(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C(C)C)cc1- InChIKey
NWPBFZVYBOFTMX-UHFFFAOYSA-N- Molecular formula
- C26H25NO5
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.1732729
Names & identifiers
- Preferred name
- Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] 2-(4-methoxyphenoxy)-3-methylbutanoate
Names & synonyms
63439-08-7Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eterSCHEMBL11710686DTXSID80979624Cyano(3-phenoxyphenyl)methyl 2-(4-methoxyphenoxy)-3-methylbutanoate
Database identifiers
- CAS
63439-08-7- PubChem CID
- 182706
- DTXSID
DTXSID80979624- Nikkaji
- J478.063I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 615
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…