5-(2,6-dimethylphenoxy)isoindole-1,3-dione

C16H13NO3 — CID 141180477

IUPAC5-(2,6-dimethylphenoxy)isoindole-1,3-dione
SMILESCc1cccc(C)c1Oc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)20-11-6-7-12-13(8-11)16(19)17-15(12)18/h3-8H,1-2H3,(H,17,18,19)
InChIKeyNRISHMZFKMAVFE-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.98
Rot. Bonds2

About 5-(2,6-dimethylphenoxy)isoindole-1,3-dione

5-(2,6-dimethylphenoxy)isoindole-1,3-dione (PubChem CID 141180477) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,6-dimethylphenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,6-dimethylphenoxy)isoindole-1,3-dione
PubChem CID141180477
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-(2,6-dimethylphenoxy)isoindole-1,3-dione
SMILESCc1cccc(C)c1Oc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)20-11-6-7-12-13(8-11)16(19)17-15(12)18/h3-8H,1-2H3,(H,17,18,19)
InChIKeyNRISHMZFKMAVFE-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-2,6-dimethylphenoxy)isoindole-1,3-dione
CID 141275224
5-(2,6-dimethylphenoxy)-2-benzofuran-1,3-dione
CID 14617994
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 1319335
5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 71121805
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide
CID 168651629
5-anilinooxyisoindole-1,3-dione
CID 20649375
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374
5-[4-[2-[3,5-dimethyl-4-[(1-methylidene-3-oxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-2-benzofuran-1,3-dione
CID 144539172
5-methylisoindole-1,3-dione;propane
CID 156794481
3-(2,6-dimethylphenoxy)phenol;phosphoric acid
CID 175289306
4-(2,6-dimethylphenoxy)-2-nitroaniline
CID 58017485

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenoxy)isoindole-1,3-dione?
The IUPAC name of 5-(2,6-dimethylphenoxy)isoindole-1,3-dione (CID 141180477) is 5-(2,6-dimethylphenoxy)isoindole-1,3-dione.
What is the SMILES notation for 5-(2,6-dimethylphenoxy)isoindole-1,3-dione?
The canonical SMILES for 5-(2,6-dimethylphenoxy)isoindole-1,3-dione is Cc1cccc(C)c1Oc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 5-(2,6-dimethylphenoxy)isoindole-1,3-dione?
The InChIKey is NRISHMZFKMAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)20-11-6-7-12-13(8-11)16(19)17-15(12)18/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 5-(2,6-dimethylphenoxy)isoindole-1,3-dione?
5-(2,6-dimethylphenoxy)isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenoxy)isoindole-1,3-dione is sourced from PubChem (CID 141180477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).