1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole

C16H17NO2 — CID 115104616

IUPAC1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESCOc1cccc(OCC2NCc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c1-18-13-6-4-7-14(9-13)19-11-16-15-8-3-2-5-12(15)10-17-16/h2-9,16-17H,10-11H2,1H3
InChIKeyIWMIFKSXXYUING-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.92
Rot. Bonds4

About 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole

1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 115104616) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
PubChem CID115104616
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESCOc1cccc(OCC2NCc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c1-18-13-6-4-7-14(9-13)19-11-16-15-8-3-2-5-12(15)10-17-16/h2-9,16-17H,10-11H2,1H3
InChIKeyIWMIFKSXXYUING-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104050
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128
1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
CID 65047103
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole (CID 115104616) is 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole is COc1cccc(OCC2NCc3ccccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is IWMIFKSXXYUING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-13-6-4-7-14(9-13)19-11-16-15-8-3-2-5-12(15)10-17-16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 255.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115104616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).