7-(Benzyloxy)quinolin-4-ol
Basic information
- CAS
749922-34-7- Standard SMILES
O=c1cc[nH]c2cc(OCc3ccccc3)ccc12- InChIKey
KWQRHYWEGFFXKV-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 7-(Benzyloxy)quinolin-4-ol
- IUPAC
- 7-phenylmethoxy-1H-quinolin-4-one
- English name
- 7-Benzyloxy-4-hydroxy-quinoline
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
7-(benzyloxy)quinolin-4-ol749922-34-77-BENZYLOXY-4-HYDROXY-QUINOLINEMFCD066599637-(Benzyloxy)quinolin-4(1H)-one7-phenylmethoxy-1H-quinolin-4-one1629758-07-17-(Benzyloxy)-4-hydroxyquinoline7-benzyloxyquinolin-4-olSCHEMBL3110947-benzyloxy-1H-quinolin-4-oneSCHEMBL16112035
Show more names
4-Quinolinol, 7-(phenylmethoxy)-7-(Benzyloxy)-4-hydroxyquinoline, 7-(Benzyloxy)-4-hydroxy-1-azanaphthalene
SCHEMBL30153587SCHEMBL31253965DTXSID40610566KWQRHYWEGFFXKV-UHFFFAOYSA-NAKOS015912496DS-2851SB71859SY110009
Database identifiers
- CAS
749922-34-7- PubChem CID
- 21075752
- DTXSID
DTXSID40610566
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 455.8 · 455.8±30.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.12 · 4.12±0.40(Predicted)
- form
- solid
- color
- Tan/brown
- InChI
- InChI=1S/C16H13NO2/c18-16-8-9-17-15-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)
- InChIKey
- KWQRHYWEGFFXKV-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(OCC3=CC=CC=C3)C=2)C(O)=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P271-P261
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P271-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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