5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione

C14H10O6 — CID 137276863

IUPAC5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
SMILESCOc1cc2c(c(O)c1O)C(=O)c1c(coc1C)C2=O
InChIInChI=1S/C14H10O6/c1-5-9-7(4-20-5)11(15)6-3-8(19-2)12(16)14(18)10(6)13(9)17/h3-4,16,18H,1-2H3
InChIKeyFEHALESAZWZNHA-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.78
Rot. Bonds1

About 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione

5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione (PubChem CID 137276863) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione.

Molecular Properties

Compound Name5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
PubChem CID137276863
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
SMILESCOc1cc2c(c(O)c1O)C(=O)c1c(coc1C)C2=O
InChIInChI=1S/C14H10O6/c1-5-9-7(4-20-5)11(15)6-3-8(19-2)12(16)14(18)10(6)13(9)17/h3-4,16,18H,1-2H3
InChIKeyFEHALESAZWZNHA-UHFFFAOYSA-N
XLogP1.78
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5,6,7-trihydroxy-3-methylbenzo[f][2]benzofuran-4,9-dione
CID 137276862
2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
CID 163080913
2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
CID 122196300
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 11550926
1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione
CID 15118832
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione
CID 102374461
11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione
CID 11046434
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
CID 14729074
(4S)-8-hydroxy-7-methoxy-3,4,5-trimethyl-4H-benzo[f][1]benzofuran-9-one
CID 642133

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione?
The IUPAC name of 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione (CID 137276863) is 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione.
What is the SMILES notation for 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione?
The canonical SMILES for 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione is COc1cc2c(c(O)c1O)C(=O)c1c(coc1C)C2=O.
What is the InChIKey of 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione?
The InChIKey is FEHALESAZWZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-5-9-7(4-20-5)11(15)6-3-8(19-2)12(16)14(18)10(6)13(9)17/h3-4,16,18H,1-2H3.
What are the key properties of 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione?
5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione has a molecular weight of 274.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione is sourced from PubChem (CID 137276863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).