2-(Diethylamino)ethyl 2,3-dihydro-3-phenyl-3-benzofurancarboxylate
Basic information
- CAS
22194-37-2- Standard SMILES
CCN(CC)CCOC(=O)C1(c2ccccc2)COc2ccccc21- InChIKey
FHMICEFJCXNAPY-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2,3-dihydro-3-phenyl-3-benzofurancarboxylate
- IUPAC
- 2-(diethylamino)ethyl 3-phenyl-2H-1-benzofuran-3-carboxylate
Names & synonyms
GRI8YGG0TKUNII-GRI8YGG0TK2-(Diethylamino)ethyl 2,3-dihydro-3-phenyl-3-benzofurancarboxylate60022-29-93-Benzofurancarboxylic acid, 2,3-dihydro-3-phenyl-, 2-(diethylamino)ethyl ester3-Phenyl-3-carbo(beta-diethylamino)ethoxy-2,3-dihydrobenzofuranAGN-PC-0JKLOODTXSID402749052-(diethylamino)ethyl 3-phenyl-2,3-dihydro-1-benzofuran-3-carboxylate3-PHENYL-3-CARBO(.BETA.-DIETHYLAMINO)ETHOXY-2,3-DIHYDROBENZOFURAN
Database identifiers
- CAS
22194-37-2、60022-29-9- PubChem CID
- 30984
- DTXSID
DTXSID40274905- UNII
- GRI8YGG0TK
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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