4-methyl-2-phenylisoindole-1,3-dione

C15H11NO2 — CID 12746962

IUPAC4-methyl-2-phenylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C15H11NO2/c1-10-6-5-9-12-13(10)15(18)16(14(12)17)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyWNZXCMBIZPSTKV-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.80
Rot. Bonds1

About 4-methyl-2-phenylisoindole-1,3-dione

4-methyl-2-phenylisoindole-1,3-dione (PubChem CID 12746962) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-phenylisoindole-1,3-dione
PubChem CID12746962
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name4-methyl-2-phenylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C15H11NO2/c1-10-6-5-9-12-13(10)15(18)16(14(12)17)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyWNZXCMBIZPSTKV-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-1,3-dioxoisoindol-2-yl)benzonitrile
CID 25113145
2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
CID 53392519
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 129087168
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
5-methyl-1,3-dioxo-2-phenylisoindole-4-carbonitrile
CID 139624280
4,6-dihydroxy-5-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 5409731
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234238
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-methyl-2-phenylisoindole-1,3-dione (CID 12746962) is 4-methyl-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-phenylisoindole-1,3-dione is Cc1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-methyl-2-phenylisoindole-1,3-dione?
The InChIKey is WNZXCMBIZPSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-6-5-9-12-13(10)15(18)16(14(12)17)11-7-3-2-4-8-11/h2-9H,1H3.
What are the key properties of 4-methyl-2-phenylisoindole-1,3-dione?
4-methyl-2-phenylisoindole-1,3-dione has a molecular weight of 237.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 12746962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).