2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one

HCID 39053

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Basic information

CAS: 41958-53-6
Standard SMILES: Cc1cccc2c1C(=O)N(C)[C@@H](C)[C@@H]2c1ccccc1
InChIKey: FJODHFDATMVNDW-SUMWQHHRSA-N
Molecular formula: C18H19NO
Average molar mass: 265.3 g/mol
Monoisotopic mass: 265.14666423

Names & identifiers

Preferred name: 2,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
IUPAC: (3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one

Names & synonyms

DTXSID1096210541958-53-62,3,8-Trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-oneRefChem:1059264DTXCID401389918BRN 1474337trans-3,4-Dihydro-4-phenyl-2,3,7-trimethyl-1(2H)-isocarbostyril1(2H)-Isoquinolone, 3,4-dihydro-4-phenyl-2,3,7-trimethyl-, (E)-1(2H)-ISOCARBOSTYRIL, 3,4-DIHYDRO-4-PHENYL-2,3,7-TRIMETHYL-, (E)-(3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one

Database identifiers

CAS: 41958-53-6
PubChem CID: 39053
DTXSID: DTXSID10962105

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 360

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