1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione

C14H10O2Se — CID 153490221

IUPAC1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
SMILESCc1[se]c(C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H10O2Se/c1-7-11-12(8(2)17-7)14(16)10-6-4-3-5-9(10)13(11)15/h3-6H,1-2H3
InChIKeyTVAZXWOWMDDQRC-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.14
Rot. Bonds

About 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione

1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione (PubChem CID 153490221) has the molecular formula C14H10O2Se and a molecular weight of 289.19 g/mol. Its IUPAC name is 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione.

Molecular Properties

Compound Name1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
PubChem CID153490221
Molecular FormulaC14H10O2Se
Molecular Weight289.19 g/mol
Exact Mass289.98
IUPAC Name1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
SMILESCc1[se]c(C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H10O2Se/c1-7-11-12(8(2)17-7)14(16)10-6-4-3-5-9(10)13(11)15/h3-6H,1-2H3
InChIKeyTVAZXWOWMDDQRC-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
CID 158452185
CID 158452185
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763
1-bromo-4-hydroxy-2,3-dimethylanthracene-9,10-dione
CID 5182448
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione?
The IUPAC name of 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione (CID 153490221) is 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione.
What is the SMILES notation for 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione?
The canonical SMILES for 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione is Cc1[se]c(C)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione?
The InChIKey is TVAZXWOWMDDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2Se/c1-7-11-12(8(2)17-7)14(16)10-6-4-3-5-9(10)13(11)15/h3-6H,1-2H3.
What are the key properties of 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione?
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione has a molecular weight of 289.19 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione is sourced from PubChem (CID 153490221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).