Basic information
- CAS
821784-30-9- Standard SMILES
Oc1cccc(CNc2cncc(-c3cccc(O)c3)c2)c1- InChIKey
OCFQZUXLEXCLHI-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Names & identifiers
- Preferred name
- Phenol, 3-[5-[[(3-hydroxyphenyl)methyl]amino]-3-pyridinyl]-
- IUPAC
- 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]phenol
Names & synonyms
821784-30-9Phenol, 3-[5-[[(3-hydroxyphenyl)methyl]amino]-3-pyridinyl]-SCHEMBL4160677DTXSID004692943-(5-{[(3-HYDROXYPHENYL)METHYL]AMINO}PYRIDIN-3-YL)PHENOL
Database identifiers
- CAS
821784-30-9- PubChem CID
- 11601745
- DTXSID
DTXSID00469294
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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