Basic information
- CAS
5345-88-0- Standard SMILES
CCN(CC)CC(O)c1ccc2ccc3ccc(O)cc3c2c1- InChIKey
IJBPZONJMXCXSW-UHFFFAOYSA-N- Molecular formula
- C20H23NO2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.17287898
Names & identifiers
- Preferred name
- alpha-[(Diethylamino)methyl]-6-hydroxy-3-phenanthrenemethanol
- IUPAC
- 6-[2-(diethylamino)-1-hydroxyethyl]phenanthren-3-ol
Names & synonyms
MLS002637592.ALPHA.-[(DIETHYLAMINO)METHYL]-6-HYDROXY-3-PHENANTHRENEMETHANOLNSC1761CHEMBL1727627HMS3091P17NSC-1761SMR001547122
Database identifiers
- CAS
5345-88-0- PubChem CID
- 219940
- ChEMBL
CHEMBL1727627
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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