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

C16H17NO2 — CID 115104609

IUPAC1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESCOc1ccccc1OCC1NCc2ccccc21
InChIInChI=1S/C16H17NO2/c1-18-15-8-4-5-9-16(15)19-11-14-13-7-3-2-6-12(13)10-17-14/h2-9,14,17H,10-11H2,1H3
InChIKeyKDHABIVYWOOJFA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.92
Rot. Bonds4

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

1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 115104609) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
PubChem CID115104609
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
SMILESCOc1ccccc1OCC1NCc2ccccc21
InChIInChI=1S/C16H17NO2/c1-18-15-8-4-5-9-16(15)19-11-14-13-7-3-2-6-12(13)10-17-14/h2-9,14,17H,10-11H2,1H3
InChIKeyKDHABIVYWOOJFA-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-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104616
1-[[4-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-1H-isoindole
CID 115104617
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline
CID 129404358
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole (CID 115104609) is 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole is COc1ccccc1OCC1NCc2ccccc21.
What is the InChIKey of 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is KDHABIVYWOOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-8-4-5-9-16(15)19-11-14-13-7-3-2-6-12(13)10-17-14/h2-9,14,17H,10-11H2,1H3.
What are the key properties of 1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole?
1-[(2-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-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115104609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).