Basic information
- CAS
866545-86-0- Standard SMILES
c1ccc(COc2ccc(-c3c[nH]c4ncccc34)cc2)cc1- InChIKey
CDOXWUSKKVJJCR-UHFFFAOYSA-N- Molecular formula
- C20H16N2O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.12626314
Names & identifiers
- Preferred name
- 1H-Pyrrolo[2,3-b]pyridine, 3-[4-(phenylmethoxy)phenyl]-
- IUPAC
- 3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Names & synonyms
866545-86-01H-Pyrrolo[2,3-b]pyridine, 3-[4-(phenylmethoxy)phenyl]-3-(4-benzyloxyphenyl)-1H-pyrrolo[2,3-b]pyridineSCHEMBL858614DTXSID40470541DB-3145123-[4-(BENZYLOXY)PHENYL]-1H-PYRROLO[2,3-B]PYRIDINE
Database identifiers
- CAS
866545-86-0- PubChem CID
- 11680990
- DTXSID
DTXSID40470541
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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