Basic information
- CAS
76-91-5- Standard SMILES
CCCCCCOc1ccc(C(O)(C(=O)OCCN(CC)CC)c2ccccc2)cc1- InChIKey
VTQHDICZORLCQT-UHFFFAOYSA-N- Molecular formula
- C26H37NO4
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.27225866
Names & identifiers
- Preferred name
- 4-(Hexyloxy)benzilic acid 2-diethylaminoethyl ester
- IUPAC
- 2-(diethylamino)ethyl 2-(4-hexoxyphenyl)-2-hydroxy-2-phenylacetate
Names & synonyms
4-(Hexyloxy)benzilic acid 2-diethylaminoethyl ester76-91-5AVX3SBZ79NBenzilic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester2-(diethylamino)ethyl 2-(4-hexoxyphenyl)-2-hydroxy-2-phenylacetateUNII-AVX3SBZ79N3-Diethylaminopropyl p-butoxybenzoate, (+/-)-4-Butoxybenzoic acid 3-(diethylamino)propyl esterSCHEMBL29758978Benzeneacetic acid, 4-(hexyloxy)-alpha-hydroxy-alpha-phenyl-, 2-(diethylamino)ethyl esterQ27274141BENZENEACETIC ACID, 4-(HEXYLOXY)-.ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER
Database identifiers
- CAS
76-91-5- PubChem CID
- 201539
- UNII
- AVX3SBZ79N
- Nikkaji
- J4.187D
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…