6-phenoxy-7H-purine
Basic information
- CAS
66085-17-4- Standard SMILES
c1ccc(Oc2ncnc3nc[nH]c23)cc1- InChIKey
QUFBIKHKPIVLBM-UHFFFAOYSA-N- Molecular formula
- C11H8N4O
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.06981089
Names & identifiers
- Preferred name
- 6-phenoxy-7H-purine
- IUPAC
- 6-phenoxy-7H-purine
Names & synonyms
6-phenoxy-7H-purine66085-17-4NSC 31141NSC 1684806-phenoxypurineCHEMBL366984SCHEMBL2623130SCHEMBL23069173DTXSID10364620NSC31141NSC-31141NSC168480
Show more names
NSC-168480
Database identifiers
- CAS
66085-17-4- PubChem CID
- 1620180
- DTXSID
DTXSID10364620- ChEMBL
CHEMBL366984- Nikkaji
- J641.925I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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