7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione

C16H10O3 — CID 144902513

IUPAC7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione
SMILESC=Cc1cc2ccc3c(c2cc1C=C)C(=O)OC3=O
InChIInChI=1S/C16H10O3/c1-3-9-7-11-5-6-12-14(16(18)19-15(12)17)13(11)8-10(9)4-2/h3-8H,1-2H2
InChIKeyCZRUSMCCXMILNY-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.44
Rot. Bonds2

About 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione

7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione (PubChem CID 144902513) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione.

Molecular Properties

Compound Name7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione
PubChem CID144902513
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione
SMILESC=Cc1cc2ccc3c(c2cc1C=C)C(=O)OC3=O
InChIInChI=1S/C16H10O3/c1-3-9-7-11-5-6-12-14(16(18)19-15(12)17)13(11)8-10(9)4-2/h3-8H,1-2H2
InChIKeyCZRUSMCCXMILNY-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione
CID 152964608
2,3-bis(ethenyl)phenanthrene
CID 144756778
6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624
5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione
CID 11402825
1,3-dioxobenzo[e][2]benzofuran-7-carboxylic acid;methyl 2-methylprop-2-enoate
CID 88675058
6-bromobenzo[e][2]benzofuran-1,3-dione
CID 87755748
7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione
CID 157330264
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
7,12-dioxatetracyclo[12.3.1.02,9.05,10]octadeca-1(18),2(9),3,5(10),14,16-hexaene-6,8,11,13-tetrone
CID 56628669
4,5-difluoro-2-benzofuran-1,3-dione
CID 15106096
[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 158669225
12-hydroxy-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 57145576

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione?
The IUPAC name of 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione (CID 144902513) is 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione.
What is the SMILES notation for 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione?
The canonical SMILES for 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione is C=Cc1cc2ccc3c(c2cc1C=C)C(=O)OC3=O.
What is the InChIKey of 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione?
The InChIKey is CZRUSMCCXMILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c1-3-9-7-11-5-6-12-14(16(18)19-15(12)17)13(11)8-10(9)4-2/h3-8H,1-2H2.
What are the key properties of 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione?
7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione has a molecular weight of 250.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione is sourced from PubChem (CID 144902513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).