6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one

C16H15NO2 — CID 11043266

IUPAC6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C16H15NO2/c1-19-14-7-8-15-12(11-14)9-10-17(16(15)18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyUNVLRPHFGDWFNZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.90
Rot. Bonds2

About 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one

6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 11043266) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID11043266
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C16H15NO2/c1-19-14-7-8-15-12(11-14)9-10-17(16(15)18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyUNVLRPHFGDWFNZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one (CID 11043266) is 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one is COc1ccc2c(c1)CCN(c1ccccc1)C2=O.
What is the InChIKey of 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is UNVLRPHFGDWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-14-7-8-15-12(11-14)9-10-17(16(15)18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one?
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 11043266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).