2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione

C11H6O3Se — CID 140822028

IUPAC2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione
SMILESCc1cc2cc3c(cc2[se]1)C(=O)OC3=O
InChIInChI=1S/C11H6O3Se/c1-5-2-6-3-7-8(4-9(6)15-5)11(13)14-10(7)12/h2-4H,1H3
InChIKeyTZORLOODRINJLZ-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.52
Rot. Bonds

About 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione

2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione (PubChem CID 140822028) has the molecular formula C11H6O3Se and a molecular weight of 265.13 g/mol. Its IUPAC name is 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione.

Molecular Properties

Compound Name2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione
PubChem CID140822028
Molecular FormulaC11H6O3Se
Molecular Weight265.13 g/mol
Exact Mass265.95
IUPAC Name2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione
SMILESCc1cc2cc3c(cc2[se]1)C(=O)OC3=O
InChIInChI=1S/C11H6O3Se/c1-5-2-6-3-7-8(4-9(6)15-5)11(13)14-10(7)12/h2-4H,1H3
InChIKeyTZORLOODRINJLZ-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 147622675
naphtho[2,3-f][2]benzofuran-1,3-dione
CID 11096934
benzo[f][2]benzofuran-1,3-dione;1,1'-biphenyl;ethane;naphthalene
CID 159928298
5,6-diethyl-2-benzofuran-1,3-dione
CID 86603556
2,10-diiodo-6,15-dioxatetracyclo[9.7.0.04,17.08,13]octadeca-1(18),2,4(17),8(13),9,11-hexaene-5,7,14,16-tetrone
CID 54476878
cyclohexane;5-methyl-2-benzofuran-1,3-dione
CID 88623758
2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione
CID 54348365
phenanthro[9,10-f][2]benzofuran-10,12-dione
CID 15267806
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
5-methyl-6-(1-methylcyclopropyl)-2-benzofuran-1,3-dione
CID 123164993
5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
2-benzofuran-1,3-dione
CID 163894732

Frequently Asked Questions

What is the IUPAC name of 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione?
The IUPAC name of 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione (CID 140822028) is 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione.
What is the SMILES notation for 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione?
The canonical SMILES for 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione is Cc1cc2cc3c(cc2[se]1)C(=O)OC3=O.
What is the InChIKey of 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione?
The InChIKey is TZORLOODRINJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O3Se/c1-5-2-6-3-7-8(4-9(6)15-5)11(13)14-10(7)12/h2-4H,1H3.
What are the key properties of 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione?
2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione has a molecular weight of 265.13 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione is sourced from PubChem (CID 140822028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).