Basic information
- CAS
88307-72-6- Standard SMILES
COc1cc2c(cc1OC)C(c1ccccc1O)NCC2- InChIKey
MHCUVSNFIKUPME-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- ST049792
- IUPAC
- 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
Names & synonyms
88307-72-6ST049792DTXSID90345659RefChem:381393DTXCID302967322-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenolPhenol, 2-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-Oprea1_142210Oprea1_556568CBDivE_010219MLS001203479CHEMBL1735330
Show more names
MHCUVSNFIKUPME-UHFFFAOYSA-NHMS2821L122-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-phenolSTK676742AKOS000666758AKOS024281959SMR000504960SR-01000530614
Database identifiers
- CAS
88307-72-6- PubChem CID
- 606142
- DTXSID
DTXSID90345659- ChEMBL
CHEMBL1735330- Nikkaji
- J2.099.498C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility37.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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