2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one

C16H16FNO2 — CID 83208382

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
SMILESCOc1ccc(Cn2cc3c(c2)C(=O)CCC3)cc1F
InChIInChI=1S/C16H16FNO2/c1-20-16-6-5-11(7-14(16)17)8-18-9-12-3-2-4-15(19)13(12)10-18/h5-7,9-10H,2-4,8H2,1H3
InChIKeySTVQIGIRUDJKPM-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.20
Rot. Bonds3

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one

2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one (PubChem CID 83208382) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
PubChem CID83208382
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
SMILESCOc1ccc(Cn2cc3c(c2)C(=O)CCC3)cc1F
InChIInChI=1S/C16H16FNO2/c1-20-16-6-5-11(7-14(16)17)8-18-9-12-3-2-4-15(19)13(12)10-18/h5-7,9-10H,2-4,8H2,1H3
InChIKeySTVQIGIRUDJKPM-UHFFFAOYSA-N
XLogP3.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83209123
2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208005
2-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 104792917
methyl 4-[(7-oxo-5,6-dihydro-4H-isoindol-2-yl)methyl]benzoate
CID 83207496
2-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206534
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212147
2-[(3-bromo-5-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83207714
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029
2-[(2-bromo-4-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208843
2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207005
2-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207378
(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 2633906

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one (CID 83208382) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one is COc1ccc(Cn2cc3c(c2)C(=O)CCC3)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The InChIKey is STVQIGIRUDJKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-16-6-5-11(7-14(16)17)8-18-9-12-3-2-4-15(19)13(12)10-18/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one has a molecular weight of 273.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one is sourced from PubChem (CID 83208382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).