4-Chlorophenoxy-3-(4-benzyloxyphenyl)-2-methyl-propionic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)C(C)(Cc1ccc(OCc2ccccc2)cc1)Oc1ccc(Cl)cc1- InChIKey
IZEQZVYBSYVKEQ-UHFFFAOYSA-N- Molecular formula
- C25H25ClO4
- Average molar mass
- 424.9 g/mol
Names & identifiers
- Preferred name
- 4-Chlorophenoxy-3-(4-benzyloxyphenyl)-2-methyl-propionic acid ethyl ester
- IUPAC
- ethyl 2-(4-chlorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
Names & synonyms
SCHEMBL5208740IZEQZVYBSYVKEQ-UHFFFAOYSA-N3-(4-benzyloxyphenyl)-2-(4chlorophenoxy)-2-methylpropionic acid ethyl ester4-Chlorophenoxy-3-(4-benzyloxyphenyl)-2-methyl-propionic acid ethyl ester3-(4-benzyloxyphenyl)-2-(4-chlorophenoxy)-2-methylpropionic acid ethyl ester
Database identifiers
- PubChem CID
- 69353602
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 505
Related reactions
3 records
Compound notes
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