Basic information
- Standard SMILES
CN(C)CC(O)COc1ccc2c(c1)OC(C)(C)CC2c1ccccc1- InChIKey
YOKBJTBTRNPNDY-UHFFFAOYSA-N- Molecular formula
- C22H29NO3
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.21474379
Names & identifiers
- Preferred name
- 7-(2-Hydroxy-3-dimethylaminopropoxy)-2,2-dimethyl-4-phenylchroman
- IUPAC
- 1-(dimethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol
Names & synonyms
SCHEMBL11479993YOKBJTBTRNPNDY-UHFFFAOYSA-N7-(2-hydroxy-3-dimethylaminopropoxy)-2,2-dimethyl-4-phenylchroman
Database identifiers
- PubChem CID
- 3046428
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Related reactions
4 records
Compound notes
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