Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester
Basic information
- CAS
102371-04-0- Standard SMILES
CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1- InChIKey
KTWQAWSQSOISLN-UHFFFAOYSA-N- Molecular formula
- C20H31NO3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.23039385
Names & identifiers
- Preferred name
- Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester
- IUPAC
- 2-(diethylamino)ethyl 2-(1-hydroxycyclohexyl)-2-phenylacetate
Names & synonyms
102371-04-0Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) esterRefChem:1082497BRN 26688971-Hydroxy-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) esterCHEMBL2377269Oxy-cyclohexyl-phenyl-essigsaeure-diaethylaminoaethyl-ester [German]4-10-00-01070 (Beilstein Handbook Reference)Oxy-cyclohexyl-phenyl-essigsaeure-diaethylaminoaethyl-esterDTXSID40907443BDBM504911232-(Diethylamino)ethyl (1-hydroxycyclohexyl)(phenyl)acetate
Database identifiers
- CAS
102371-04-0- PubChem CID
- 410345
- DTXSID
DTXSID40907443- ChEMBL
CHEMBL2377269
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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