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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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).