11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone

C16H6O6 — CID 56611654

IUPAC11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone
SMILESO=C1OC(=O)c2c1c1cc(-c3ccccc3)c2c(=O)oc1=O
InChIInChI=1S/C16H6O6/c17-13-9-6-8(7-4-2-1-3-5-7)10(14(18)21-13)12-11(9)15(19)22-16(12)20/h1-6H
InChIKeyQKUWRLIYRXMIMS-UHFFFAOYSA-N
MW294.22 g/mol
LogP1.57
Rot. Bonds1

About 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone

11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone (PubChem CID 56611654) has the molecular formula C16H6O6 and a molecular weight of 294.22 g/mol. Its IUPAC name is 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone.

Molecular Properties

Compound Name11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone
PubChem CID56611654
Molecular FormulaC16H6O6
Molecular Weight294.22 g/mol
Exact Mass294.02
IUPAC Name11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone
SMILESO=C1OC(=O)c2c1c1cc(-c3ccccc3)c2c(=O)oc1=O
InChIInChI=1S/C16H6O6/c17-13-9-6-8(7-4-2-1-3-5-7)10(14(18)21-13)12-11(9)15(19)22-16(12)20/h1-6H
InChIKeyQKUWRLIYRXMIMS-UHFFFAOYSA-N
XLogP1.57
TPSA90.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone
CID 56627383
3,5,6-triphenylchromen-2-one
CID 71411258
7,17-diphenyl-4,14-dioxahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),7,9,11(22),12(16),17,19-octaene-3,5,13,15-tetrone
CID 56632747
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507
6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione
CID 143653389
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 131738135
3-methyl-7,8-diphenylchromeno[3,4-d][1,2]oxazol-4-one
CID 134912057
1,3,5,6-tetraphenyl-2-benzofuran
CID 22457278
[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
phenanthro[9,10-f][2]benzofuran-10,12-dione
CID 15267806
7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629554

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone?
The IUPAC name of 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone (CID 56611654) is 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone.
What is the SMILES notation for 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone?
The canonical SMILES for 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone is O=C1OC(=O)c2c1c1cc(-c3ccccc3)c2c(=O)oc1=O.
What is the InChIKey of 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone?
The InChIKey is QKUWRLIYRXMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6O6/c17-13-9-6-8(7-4-2-1-3-5-7)10(14(18)21-13)12-11(9)15(19)22-16(12)20/h1-6H.
What are the key properties of 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone?
11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone has a molecular weight of 294.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone is sourced from PubChem (CID 56611654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).