2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione

C23H19NO4 — CID 21138805

IUPAC2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
SMILESCc1ccc(COc2ccc(CON3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H19NO4/c1-16-6-8-17(9-7-16)14-27-19-12-10-18(11-13-19)15-28-24-22(25)20-4-2-3-5-21(20)23(24)26/h2-13H,14-15H2,1H3
InChIKeyOWALZRXUSZHTRP-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.30
Rot. Bonds6

About 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione

2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione (PubChem CID 21138805) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
PubChem CID21138805
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
SMILESCc1ccc(COc2ccc(CON3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C23H19NO4/c1-16-6-8-17(9-7-16)14-27-19-12-10-18(11-13-19)15-28-24-22(25)20-4-2-3-5-21(20)23(24)26/h2-13H,14-15H2,1H3
InChIKeyOWALZRXUSZHTRP-UHFFFAOYSA-N
XLogP4.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-octoxyphenyl)methoxy]isoindole-1,3-dione
CID 19969096
2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21337161
2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 22344648
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-[(4-methylphenyl)methoxy]-1,3-dioxoisoindole-5-carboxylic acid
CID 58776636
3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
CID 141397576
(3Z)-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126128601
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
zinc;carbanide;5-methyl-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
CID 158477036
2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione
CID 165404978

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione (CID 21138805) is 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione is Cc1ccc(COc2ccc(CON3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
The InChIKey is OWALZRXUSZHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16-6-8-17(9-7-16)14-27-19-12-10-18(11-13-19)15-28-24-22(25)20-4-2-3-5-21(20)23(24)26/h2-13H,14-15H2,1H3.
What are the key properties of 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 373.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 21138805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).