2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione

C24H21NO5 — CID 67316681

IUPAC2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
SMILESCOc1ccccc1COc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H21NO5/c1-28-22-12-5-2-7-17(22)16-30-19-9-6-8-18(15-19)29-14-13-25-23(26)20-10-3-4-11-21(20)24(25)27/h2-12,15H,13-14,16H2,1H3
InChIKeyLXCVPGHAWMBVHW-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.95
Rot. Bonds8

About 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione

2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione (PubChem CID 67316681) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
PubChem CID67316681
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
SMILESCOc1ccccc1COc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H21NO5/c1-28-22-12-5-2-7-17(22)16-30-19-9-6-8-18(15-19)29-14-13-25-23(26)20-10-3-4-11-21(20)24(25)27/h2-12,15H,13-14,16H2,1H3
InChIKeyLXCVPGHAWMBVHW-UHFFFAOYSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
2-[3-(2-allylphenoxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
CID 2916180
4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
CID 1554692
Methyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxybenzoate
CID 728514
2-[2-(3-isopropoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1262692
2,5-dimethylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 2193449
2-[2-(2,4-Dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 7960043
2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl carbonate
CID 137649746
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
2-[2-(4-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 972604

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione (CID 67316681) is 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione is COc1ccccc1COc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione?
The InChIKey is LXCVPGHAWMBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-28-22-12-5-2-7-17(22)16-30-19-9-6-8-18(15-19)29-14-13-25-23(26)20-10-3-4-11-21(20)24(25)27/h2-12,15H,13-14,16H2,1H3.
What are the key properties of 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione?
2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione has a molecular weight of 403.43 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 67316681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).