1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione

C19H14O4 — CID 146964961

IUPAC1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione
SMILESCc1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C
InChIInChI=1S/C19H14O4/c1-9-8-23-18-11-4-6-12-10(5-7-13(20)19(12,2)3)15(11)17(22)16(21)14(9)18/h4-8H,1-3H3
InChIKeyALHWFXUZICSNIA-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.51
Rot. Bonds

About 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione

1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione (PubChem CID 146964961) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione.

Molecular Properties

Compound Name1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione
PubChem CID146964961
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione
SMILESCc1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C
InChIInChI=1S/C19H14O4/c1-9-8-23-18-11-4-6-12-10(5-7-13(20)19(12,2)3)15(11)17(22)16(21)14(9)18/h4-8H,1-3H3
InChIKeyALHWFXUZICSNIA-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Tanshinone Iia
CID 164676
Tanshinone I
CID 114917
Napabucasin
CID 10331844
Viridin
CID 94257
Tanshinone Iia Sulfonate
CID 23669322
Tanshinone Iib
CID 318797
Halenaquinone
CID 370346
Przewaquinone A
CID 619402
Methuyl tanshinonate
CID 624381
Hydroxytanshinone IIA
CID 5318349
Ethyl 2-methyl-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxylate
CID 879093
Methyl Tanshinonate
CID 14610613

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione?
The IUPAC name of 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione (CID 146964961) is 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione.
What is the SMILES notation for 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione?
The canonical SMILES for 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione is Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C.
What is the InChIKey of 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione?
The InChIKey is ALHWFXUZICSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-9-8-23-18-11-4-6-12-10(5-7-13(20)19(12,2)3)15(11)17(22)16(21)14(9)18/h4-8H,1-3H3.
What are the key properties of 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione?
1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione has a molecular weight of 306.32 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione is sourced from PubChem (CID 146964961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).