6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one

C23H21NO — CID 165177850

IUPAC6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(-c3ccccc3)cc2CCN1CCc1ccccc1
InChIInChI=1S/C23H21NO/c25-23-22-12-11-20(19-9-5-2-6-10-19)17-21(22)14-16-24(23)15-13-18-7-3-1-4-8-18/h1-12,17H,13-16H2
InChIKeyMZHGJMUEJBGOJK-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.59
Rot. Bonds4

About 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one

6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 165177850) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID165177850
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(-c3ccccc3)cc2CCN1CCc1ccccc1
InChIInChI=1S/C23H21NO/c25-23-22-12-11-20(19-9-5-2-6-10-19)17-21(22)14-16-24(23)15-13-18-7-3-1-4-8-18/h1-12,17H,13-16H2
InChIKeyMZHGJMUEJBGOJK-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one (CID 165177850) is 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(-c3ccccc3)cc2CCN1CCc1ccccc1.
What is the InChIKey of 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is MZHGJMUEJBGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23-22-12-11-20(19-9-5-2-6-10-19)17-21(22)14-16-24(23)15-13-18-7-3-1-4-8-18/h1-12,17H,13-16H2.
What are the key properties of 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one?
6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 327.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 165177850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).