methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate

C22H18O8 — CID 15923711

IUPACmethyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate
SMILESCOC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(c(OC)c3occc3c1OC)C2=O
InChIInChI=1S/C22H18O8/c1-9-13-11(8-12(26-2)14(9)22(25)29-5)17(23)15-16(18(13)24)19(27-3)10-6-7-30-20(10)21(15)28-4/h6-8H,1-5H3
InChIKeyOGTTXGNXYCORFD-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.33
Rot. Bonds4

About methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate

methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate (PubChem CID 15923711) has the molecular formula C22H18O8 and a molecular weight of 410.38 g/mol. Its IUPAC name is methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate
PubChem CID15923711
Molecular FormulaC22H18O8
Molecular Weight410.38 g/mol
Exact Mass410.10
IUPAC Namemethyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate
SMILESCOC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(c(OC)c3occc3c1OC)C2=O
InChIInChI=1S/C22H18O8/c1-9-13-11(8-12(26-2)14(9)22(25)29-5)17(23)15-16(18(13)24)19(27-3)10-6-7-30-20(10)21(15)28-4/h6-8H,1-5H3
InChIKeyOGTTXGNXYCORFD-UHFFFAOYSA-N
XLogP3.33
TPSA101.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate?
The IUPAC name of methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate (CID 15923711) is methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate.
What is the SMILES notation for methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate?
The canonical SMILES for methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate is COC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(c(OC)c3occc3c1OC)C2=O.
What is the InChIKey of methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate?
The InChIKey is OGTTXGNXYCORFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O8/c1-9-13-11(8-12(26-2)14(9)22(25)29-5)17(23)15-16(18(13)24)19(27-3)10-6-7-30-20(10)21(15)28-4/h6-8H,1-5H3.
What are the key properties of methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate?
methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate has a molecular weight of 410.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate is sourced from PubChem (CID 15923711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).