5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole

C15H14FNO — CID 84737138

IUPAC5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
SMILESCOc1ccccc1C1NCc2cc(F)ccc21
InChIInChI=1S/C15H14FNO/c1-18-14-5-3-2-4-13(14)15-12-7-6-11(16)8-10(12)9-17-15/h2-8,15,17H,9H2,1H3
InChIKeyKEEYKAZMODXKOV-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.03
Rot. Bonds2

About 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole

5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 84737138) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
PubChem CID84737138
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
SMILESCOc1ccccc1C1NCc2cc(F)ccc21
InChIInChI=1S/C15H14FNO/c1-18-14-5-3-2-4-13(14)15-12-7-6-11(16)8-10(12)9-17-15/h2-8,15,17H,9H2,1H3
InChIKeyKEEYKAZMODXKOV-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole 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

1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
CID 84737135
1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
CID 54477887
6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737148
1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282
(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline
CID 129404358
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 138690017
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole (CID 84737138) is 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole is COc1ccccc1C1NCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is KEEYKAZMODXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-18-14-5-3-2-4-13(14)15-12-7-6-11(16)8-10(12)9-17-15/h2-8,15,17H,9H2,1H3.
What are the key properties of 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole?
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 243.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84737138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).