5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione

C24H21NO4 — CID 71121805

IUPAC5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-24(2,15-4-8-17(28-3)9-5-15)16-6-10-18(11-7-16)29-19-12-13-20-21(14-19)23(27)25-22(20)26/h4-14H,1-3H3,(H,25,26,27)
InChIKeyOOFSNSJSAHAGME-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.70
Rot. Bonds5

About 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione

5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 71121805) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
PubChem CID71121805
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-24(2,15-4-8-17(28-3)9-5-15)16-6-10-18(11-7-16)29-19-12-13-20-21(14-19)23(27)25-22(20)26/h4-14H,1-3H3,(H,25,26,27)
InChIKeyOOFSNSJSAHAGME-UHFFFAOYSA-N
XLogP4.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 166850578
6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 155092283
5-[4-[2-[4-(1,3-dioxoisoindol-2-ium-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindol-2-ium-1,3-dione
CID 145178193
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 20688254
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
benzene-1,3-diamine;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-phenylisoindole-1,3-dione
CID 160841261
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide
CID 17342338
5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-[2-methyl-4-[(3-methyl-4-propan-2-ylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 167121940
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide
CID 168651629
5-(2,6-dimethylphenoxy)isoindole-1,3-dione
CID 141180477
2-(4-methylphenyl)-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58078325
[3-(aminomethyl)phenyl]methanamine;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 157302774

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione?
The IUPAC name of 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione (CID 71121805) is 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione?
The canonical SMILES for 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione is COc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1.
What is the InChIKey of 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione?
The InChIKey is OOFSNSJSAHAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-24(2,15-4-8-17(28-3)9-5-15)16-6-10-18(11-7-16)29-19-12-13-20-21(14-19)23(27)25-22(20)26/h4-14H,1-3H3,(H,25,26,27).
What are the key properties of 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione?
5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 387.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 71121805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).