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

C16H15NO — CID 58318215

IUPAC6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCc1ccc2c(c1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C16H15NO/c1-12-7-8-15-13(11-12)9-10-17(16(15)18)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyLMYJRUPYOSVUJJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.20
Rot. Bonds1

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

6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 58318215) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID58318215
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCc1ccc2c(c1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C16H15NO/c1-12-7-8-15-13(11-12)9-10-17(16(15)18)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyLMYJRUPYOSVUJJ-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one (CID 58318215) is 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one is Cc1ccc2c(c1)CCN(c1ccccc1)C2=O.
What is the InChIKey of 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is LMYJRUPYOSVUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-7-8-15-13(11-12)9-10-17(16(15)18)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one?
6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 58318215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).