1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole

C15H14FNO — CID 84737135

IUPAC1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cccc2c1CNC2c1cccc(F)c1
InChIInChI=1S/C15H14FNO/c1-18-14-7-3-6-12-13(14)9-17-15(12)10-4-2-5-11(16)8-10/h2-8,15,17H,9H2,1H3
InChIKeyYZZJANARLKTGFE-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole

1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole (PubChem CID 84737135) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
PubChem CID84737135
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cccc2c1CNC2c1cccc(F)c1
InChIInChI=1S/C15H14FNO/c1-18-14-7-3-6-12-13(14)9-17-15(12)10-4-2-5-11(16)8-10/h2-8,15,17H,9H2,1H3
InChIKeyYZZJANARLKTGFE-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

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Related Compounds

6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737148
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
CID 84733977
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 132589965
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
1-phenyl-2,3-dihydro-1H-isoindol-4-ol
CID 84734564
5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767459
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84723493
(4aR,6S,10bR)-6-(3-fluorophenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 11899610

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole (CID 84737135) is 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole is COc1cccc2c1CNC2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole?
The InChIKey is YZZJANARLKTGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-18-14-7-3-6-12-13(14)9-17-15(12)10-4-2-5-11(16)8-10/h2-8,15,17H,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole?
1-(3-fluorophenyl)-4-methoxy-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 1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84737135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).