6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione

C17H8O5 — CID 143653389

IUPAC6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione
SMILESC=C1OC(=O)c2c1cc(-c1ccccc1)c1c2C(=O)OC1=O
InChIInChI=1S/C17H8O5/c1-8-10-7-11(9-5-3-2-4-6-9)13-14(12(10)15(18)21-8)17(20)22-16(13)19/h2-7H,1H2
InChIKeyCIQQYCLFMQXMOF-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.81
Rot. Bonds1

About 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione

6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione (PubChem CID 143653389) has the molecular formula C17H8O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione.

Molecular Properties

Compound Name6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione
PubChem CID143653389
Molecular FormulaC17H8O5
Molecular Weight292.25 g/mol
Exact Mass292.04
IUPAC Name6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione
SMILESC=C1OC(=O)c2c1cc(-c1ccccc1)c1c2C(=O)OC1=O
InChIInChI=1S/C17H8O5/c1-8-10-7-11(9-5-3-2-4-6-9)13-14(12(10)15(18)21-8)17(20)22-16(13)19/h2-7H,1H2
InChIKeyCIQQYCLFMQXMOF-UHFFFAOYSA-N
XLogP2.81
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624
5-[4-[1,3-dioxo-4-(trifluoromethyl)-2-benzofuran-5-yl]-2,5-diphenylphenyl]-4-(trifluoromethyl)-2-benzofuran-1,3-dione
CID 163600179
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
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
CID 123358491
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
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
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
4,8-bis(4-phenylphenyl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
CID 143653383
3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
CID 121368252
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione
CID 143653406

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione?
The IUPAC name of 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione (CID 143653389) is 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione.
What is the SMILES notation for 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione?
The canonical SMILES for 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione is C=C1OC(=O)c2c1cc(-c1ccccc1)c1c2C(=O)OC1=O.
What is the InChIKey of 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione?
The InChIKey is CIQQYCLFMQXMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8O5/c1-8-10-7-11(9-5-3-2-4-6-9)13-14(12(10)15(18)21-8)17(20)22-16(13)19/h2-7H,1H2.
What are the key properties of 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione?
6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione has a molecular weight of 292.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione is sourced from PubChem (CID 143653389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).