1,3-Dioxolo(4,5-g)isoquinoline-5-methanol, 5,6,7,8-tetrahydro-alpha-(p-methoxyphenyl)-6-methyl-, hydrochloride

HCID 205209

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Basic information

CAS: 17606-09-6
Standard SMILES: COc1ccc(C(O)C2c3cc4c(cc3CCN2C)OCO4)cc1.Cl
InChIKey: ZVEKXQFHAXGMDU-UHFFFAOYSA-N
Molecular formula: C19H22ClNO4
Average molar mass: 363.8 g/mol
Monoisotopic mass: 363.1237359

Names & identifiers

Preferred name: 1,3-Dioxolo(4,5-g)isoquinoline-5-methanol, 5,6,7,8-tetrahydro-alpha-(p-methoxyphenyl)-6-methyl-, hydrochloride
IUPAC: (4-methoxyphenyl)-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol;hydrochloride

Names & synonyms

17606-09-61,3-Dioxolo(4,5-g)isoquinoline-5-methanol, 5,6,7,8-tetrahydro-alpha-(p-methoxyphenyl)-6-methyl-, hydrochlorideRefChem:219042DTXSID50938748(4-Methoxyphenyl)(6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol--hydrogen chloride (1/1)

Database identifiers

CAS: 17606-09-6
PubChem CID: 205209
DTXSID: DTXSID50938748

Properties

Computed structural properties

Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 426

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