8-Fluorotrimetoquinol
Basic information
- CAS
104716-89-4- Standard SMILES
COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC- InChIKey
MKRDKFSQEPQZSX-UHFFFAOYSA-N- Molecular formula
- C19H22FNO5
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.14820096
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 8-Fluorotrimetoquinol
- IUPAC
- 8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
- English name
- 8-Fluoro-1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-6,7-iso quinolinediol
- Molecular weight
- 0
Names & synonyms
8-Fluorotretoquinol8-Fluorotrimetoquinol104716-89-4RefChem:1071058-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol8-Fluoro-1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-6,7-isoquinolinediolTMQ, (+/-)-8-FluoroCHEMBL142428BDBM82493DTXSID70909152PDSP1_000595PDSP2_000592
Show more names
8-Fluoro-1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-6,7-iso quinolinediol
CAS_128658NSC_1286586,7-Isoquinolinediol, 8-fluoro-1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-
Database identifiers
- CAS
104716-89-4- PubChem CID
- 128658
- DTXSID
DTXSID70909152- ChEMBL
CHEMBL142428- Nikkaji
- J3.060.021E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
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Related reactions
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Compound notes
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