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

C15H14FNO — CID 84737148

IUPAC6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
SMILESCOc1cccc(C2NCc3ccc(F)cc32)c1
InChIInChI=1S/C15H14FNO/c1-18-13-4-2-3-10(7-13)15-14-8-12(16)6-5-11(14)9-17-15/h2-8,15,17H,9H2,1H3
InChIKeyJMBSRDJSUWRPPN-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.03
Rot. Bonds2

About 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole

6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 84737148) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
PubChem CID84737148
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
SMILESCOc1cccc(C2NCc3ccc(F)cc32)c1
InChIInChI=1S/C15H14FNO/c1-18-13-4-2-3-10(7-13)15-14-8-12(16)6-5-11(14)9-17-15/h2-8,15,17H,9H2,1H3
InChIKeyJMBSRDJSUWRPPN-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

1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
CID 84737135
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
(3aR,4R,9bS)-8-fluoro-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 40718485
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737218
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole (CID 84737148) is 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole is COc1cccc(C2NCc3ccc(F)cc32)c1.
What is the InChIKey of 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is JMBSRDJSUWRPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-18-13-4-2-3-10(7-13)15-14-8-12(16)6-5-11(14)9-17-15/h2-8,15,17H,9H2,1H3.
What are the key properties of 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole?
6-fluoro-1-(3-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 6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).