benzo[g][2,3]benzodioxine-1,4-dione

C12H6O4 — CID 164673026

IUPACbenzo[g][2,3]benzodioxine-1,4-dione
SMILESO=c1ooc(=O)c2cc3ccccc3cc12
InChIInChI=1S/C12H6O4/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)16-15-11/h1-6H
InChIKeyIFEGAMPGOISJQT-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.90
Rot. Bonds

About benzo[g][2,3]benzodioxine-1,4-dione

benzo[g][2,3]benzodioxine-1,4-dione (PubChem CID 164673026) has the molecular formula C12H6O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is benzo[g][2,3]benzodioxine-1,4-dione.

Molecular Properties

Compound Namebenzo[g][2,3]benzodioxine-1,4-dione
PubChem CID164673026
Molecular FormulaC12H6O4
Molecular Weight214.18 g/mol
Exact Mass214.03
IUPAC Namebenzo[g][2,3]benzodioxine-1,4-dione
SMILESO=c1ooc(=O)c2cc3ccccc3cc12
InChIInChI=1S/C12H6O4/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)16-15-11/h1-6H
InChIKeyIFEGAMPGOISJQT-UHFFFAOYSA-N
XLogP1.90
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
cyclopenta[b]naphthalene-1,2,3-trione
CID 581122
naphtho[2,3-c]isochromen-5-one
CID 11379597
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
heptacyclo[12.10.0.03,12.05,10.016,23.017,19.020,22]tetracosa-1,3,5,7,9,11,13,15,17(19),20(22),23-undecaene-18,21-dione
CID 140516739
3-phenylbenzo[g]isochromen-1-one
CID 10849789
benzo[f][1,2]benzoxazol-3-one
CID 131863882
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
anthracene;cyclohexa-2,5-diene-1,4-dione
CID 118268436
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;silane
CID 131739126
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of benzo[g][2,3]benzodioxine-1,4-dione?
The IUPAC name of benzo[g][2,3]benzodioxine-1,4-dione (CID 164673026) is benzo[g][2,3]benzodioxine-1,4-dione.
What is the SMILES notation for benzo[g][2,3]benzodioxine-1,4-dione?
The canonical SMILES for benzo[g][2,3]benzodioxine-1,4-dione is O=c1ooc(=O)c2cc3ccccc3cc12.
What is the InChIKey of benzo[g][2,3]benzodioxine-1,4-dione?
The InChIKey is IFEGAMPGOISJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O4/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)16-15-11/h1-6H.
What are the key properties of benzo[g][2,3]benzodioxine-1,4-dione?
benzo[g][2,3]benzodioxine-1,4-dione has a molecular weight of 214.18 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][2,3]benzodioxine-1,4-dione is sourced from PubChem (CID 164673026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).