4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride
Basic information
- CAS
72512-00-6- Standard SMILES
COc1ccc(C2[NH2+]CC(O)c3cc(O)ccc32)cc1.[Cl-]- InChIKey
SUPIHZOSKIASLT-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO3
- Average molar mass
- 307.77 g/mol
- Monoisotopic mass
- 307.0975211
Names & identifiers
- Preferred name
- 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride
- IUPAC
- 1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Names & synonyms
72512-00-64,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-METHOXYPHENYL)-, HYDROCHLORIDERefChem:10695251,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-4,6-isoquinolinediol hydrochloride4,6-Dihydroxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolinium chloride
Database identifiers
- CAS
72512-00-6- PubChem CID
- 51612
Properties
Computed structural properties
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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