3-(4-hydroxyphenyl)-2H-isoquinolin-1-one
Basic information
- CAS
20434-92-8- Standard SMILES
O=c1[nH]c(-c2ccc(O)cc2)cc2ccccc12- InChIKey
PAXSRTRJTOGLAV-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 3-(4-hydroxyphenyl)-2H-isoquinolin-1-one
- IUPAC
- 3-(4-hydroxyphenyl)-2H-isoquinolin-1-one
- English name
- 2-(4-Hydroxyphenyl)-2H-isoquinolin-1-one
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
3-(4-hydroxyphenyl)-2H-isoquinolin-1-oneNSC341341SCHEMBL311943NSC-3413411(2H)-Isoquinolinone, 3-(4-hydroxyphenyl)-2-(4-Hydroxyphenyl)isoquinolin-1(2H)-one2-(4-Hydroxyphenyl)-2H-isoquinolin-1-one
Database identifiers
- CAS
20434-92-8- PubChem CID
- 334747
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 531.4 · 531.4±50.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.30(Predicted)
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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