Ethyl 3,5-bis(benzyloxy)benzoate
Basic information
- CAS
50841-46-8- Standard SMILES
CCOC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1- InChIKey
RQXAEHUFPQJLDD-UHFFFAOYSA-N- Molecular formula
- C23H22O4
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.15180918
Names & identifiers
- Preferred name
- Ethyl 3,5-bis(benzyloxy)benzoate
- IUPAC
- ethyl 3,5-bis(phenylmethoxy)benzoate
- English name
- ethyl 3,5-bis(benzyloxy)benzoate
- Molecular formula
- C23H22O4
- Molecular weight
- 362.42
Names & synonyms
Ethyl 3,5-bis(benzyloxy)benzoate50841-46-8ethyl 3,5-bis(phenylmethoxy)benzoateethyl 3,5-dibenzyloxybenzoate3,5-Bis-benzyloxy-benzoic acid ethyl esterMFCD00157205EINECS 256-793-0M5P8GQQ4RFBenzoic acid,3,5-bis(phenylmethoxy)-, ethyl esterSCHEMBL4400182Ethyl-3,5-dibenzyloxy-benzoateDTXSID70198882
Show more names
Terbutaline-002Terbutaline Impurity 2Terbutaline Impurity 6Terbutaline Impurity 81
Terbutaline Sulphate Impurity 50DB-264955NS00032159Benzoic acid, 3,5-bis(phenylmethoxy)-, ethyl ester
Database identifiers
- CAS
50841-46-8- PubChem CID
- 3016563
- DTXSID
DTXSID70198882- UNII
- M5P8GQQ4RF
- EC Number
- 256-793-0
- Nikkaji
- J2.695.192E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 68 · 68-68.5 °C
- Boiling point
- 516.6 · 516.6±40.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
Related reactions
6 records
Compound notes
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