Basic information
- CAS
667409-39-4- Standard SMILES
CCc1ccc(C(=O)COC(=O)c2ccco2)cc1- InChIKey
AKJHHDNKMMBUSQ-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Names & identifiers
- Preferred name
- 2-(4-Ethylphenyl)-2-oxoethyl 2-furoate
- IUPAC
- [2-(4-ethylphenyl)-2-oxoethyl] furan-2-carboxylate
- English name
- 2-(4-ethylphenyl)-2-oxoethyl 2-furoate
- Molecular formula
- C15H14O4
- Molecular weight
- 258.26926
Names & synonyms
2-(4-ethylphenyl)-2-oxoethyl 2-furoate2-(4-ethylphenyl)-2-oxoethyl furan-2-carboxylateMLS001147194[2-(4-ethylphenyl)-2-oxoethyl] furan-2-carboxylateCHEMBL1362509HMS2976I20STK327117AKOS003647174SMR000672724ST45097992AK-918/41548541
Database identifiers
- CAS
667409-39-4- PubChem CID
- 7027628
- ChEMBL
CHEMBL1362509
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…