9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione

C14H6O6 — CID 152964608

IUPAC9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione
SMILESO=C1OC(O)c2cc3c4c(ccc3cc21)C(=O)OC4=O
InChIInChI=1S/C14H6O6/c15-11-6-2-1-5-3-8-9(13(17)19-12(8)16)4-7(5)10(6)14(18)20-11/h1-4,13,17H
InChIKeyURGLNURGNDHYAL-UHFFFAOYSA-N
MW270.20 g/mol
LogP1.31
Rot. Bonds

About 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione

9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione (PubChem CID 152964608) has the molecular formula C14H6O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione.

Molecular Properties

Compound Name9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione
PubChem CID152964608
Molecular FormulaC14H6O6
Molecular Weight270.20 g/mol
Exact Mass270.02
IUPAC Name9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione
SMILESO=C1OC(O)c2cc3c4c(ccc3cc21)C(=O)OC4=O
InChIInChI=1S/C14H6O6/c15-11-6-2-1-5-3-8-9(13(17)19-12(8)16)4-7(5)10(6)14(18)20-11/h1-4,13,17H
InChIKeyURGLNURGNDHYAL-UHFFFAOYSA-N
XLogP1.31
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione
CID 144902513
(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 92981910
5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
CID 2752586
4-[(1-hydroxy-3-oxo-1H-2-benzofuran-4-yl)oxy]-2-benzofuran-1,3-dione
CID 152857696
5-(dimethylamino)-3-hydroxy-3H-2-benzofuran-1-one
CID 82544291
2-[(1-hydroxy-3-oxo-1H-benzo[f][2]benzofuran-6-yl)methyl]isoindole-1,3-dione
CID 140728794
(4R)-4-hydroxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
CID 92860879
17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione
CID 155248671
5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione
CID 11402825
1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
CID 163933343
13-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-15-one
CID 167170412
6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione?
The IUPAC name of 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione (CID 152964608) is 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione.
What is the SMILES notation for 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione?
The canonical SMILES for 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione is O=C1OC(O)c2cc3c4c(ccc3cc21)C(=O)OC4=O.
What is the InChIKey of 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione?
The InChIKey is URGLNURGNDHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6O6/c15-11-6-2-1-5-3-8-9(13(17)19-12(8)16)4-7(5)10(6)14(18)20-11/h1-4,13,17H.
What are the key properties of 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione?
9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione has a molecular weight of 270.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione is sourced from PubChem (CID 152964608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).