Basic information
- CAS
93203-01-1- Standard SMILES
Oc1ccc2c(c1)C(O)CNC2c1ccccc1O- InChIKey
ULPPULDUDQICOV-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(2-hydroxyphenyl)-
- IUPAC
- 1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Names & synonyms
93203-01-14,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(2-HYDROXYPHENYL)-RefChem:1069523BRN 55740921,2,3,4-Tetrahydro-1-(2-hydroxyphenyl)-4,6-isoquinolinediolDTXSID309186041-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Database identifiers
- CAS
93203-01-1- PubChem CID
- 56587
- DTXSID
DTXSID30918604
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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