5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

C17H16FNO2 — CID 2151914

IUPAC5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2c(OCc3ccc(F)cc3)cccc2C1=O
InChIInChI=1S/C17H16FNO2/c1-19-10-9-14-15(17(19)20)3-2-4-16(14)21-11-12-5-7-13(18)8-6-12/h2-8H,9-11H2,1H3
InChIKeyGVODUQZTIWRMTD-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.03
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 2151914) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID2151914
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2c(OCc3ccc(F)cc3)cccc2C1=O
InChIInChI=1S/C17H16FNO2/c1-19-10-9-14-15(17(19)20)3-2-4-16(14)21-11-12-5-7-13(18)8-6-12/h2-8H,9-11H2,1H3
InChIKeyGVODUQZTIWRMTD-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 2151914) is 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2c(OCc3ccc(F)cc3)cccc2C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is GVODUQZTIWRMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-19-10-9-14-15(17(19)20)3-2-4-16(14)21-11-12-5-7-13(18)8-6-12/h2-8H,9-11H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 285.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).