5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione

C22H17NO3 — CID 925737

IUPAC5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
SMILESCc1cc(C)cc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C22H17NO3/c1-14-10-15(2)12-18(11-14)26-17-8-9-19-20(13-17)22(25)23(21(19)24)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyXDAJCJFNOOEIQE-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.90
Rot. Bonds3

About 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione

5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione (PubChem CID 925737) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
PubChem CID925737
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
SMILESCc1cc(C)cc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C22H17NO3/c1-14-10-15(2)12-18(11-14)26-17-8-9-19-20(13-17)22(25)23(21(19)24)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyXDAJCJFNOOEIQE-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
2-(3-methylphenyl)-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
CID 59031834
2-(4-methylphenyl)-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58078325
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
2-methyl-5-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 90278436
4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate
CID 7046804
(4-methylphenyl) 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 4555108
5-[1-imino-3-oxo-2-(4-phenoxyphenyl)isoindol-5-yl]oxy-2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 123289566
2-(4-methylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
CID 1115477

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione?
The IUPAC name of 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione (CID 925737) is 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione?
The canonical SMILES for 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione is Cc1cc(C)cc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1.
What is the InChIKey of 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione?
The InChIKey is XDAJCJFNOOEIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-10-15(2)12-18(11-14)26-17-8-9-19-20(13-17)22(25)23(21(19)24)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione?
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).