2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole

C58H45NO9 — CID 160877928

IUPAC2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole
SMILESCc1cc2c(ccc3occ(C)c32)o1.Cc1coc2ccc3c(c12)OCO3.Cc1coc2ccc3ccccc3c12.Cc1coc2ccc3ncccc3c12.Cc1coc2ccc3occc3c12
InChIInChI=1S/C13H10O.C12H9NO.C12H10O2.C11H8O2.C10H8O3/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12;1-8-7-14-11-5-4-10-9(12(8)11)3-2-6-13-10;1-7-6-13-11-4-3-10-9(12(7)11)5-8(2)14-10;1-7-6-13-10-3-2-9-8(11(7)10)4-5-12-9;1-6-4-11-7-2-3-8-10(9(6)7)13-5-12-8/h2-8H,1H3;2-7H,1H3;3-6H,1-2H3;2-6H,1H3;2-4H,5H2,1H3
InChIKeySMQLBCRXYLVQCR-UHFFFAOYSA-N
MW900.00 g/mol
LogP16.94
Rot. Bonds

About 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole

2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole (PubChem CID 160877928) has the molecular formula C58H45NO9 and a molecular weight of 900.00 g/mol. Its IUPAC name is 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole.

Molecular Properties

Compound Name2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole
PubChem CID160877928
Molecular FormulaC58H45NO9
Molecular Weight900.00 g/mol
Exact Mass899.31
IUPAC Name2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole
SMILESCc1cc2c(ccc3occ(C)c32)o1.Cc1coc2ccc3c(c12)OCO3.Cc1coc2ccc3ccccc3c12.Cc1coc2ccc3ncccc3c12.Cc1coc2ccc3occc3c12
InChIInChI=1S/C13H10O.C12H9NO.C12H10O2.C11H8O2.C10H8O3/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12;1-8-7-14-11-5-4-10-9(12(8)11)3-2-6-13-10;1-7-6-13-11-4-3-10-9(12(7)11)5-8(2)14-10;1-7-6-13-10-3-2-9-8(11(7)10)4-5-12-9;1-6-4-11-7-2-3-8-10(9(6)7)13-5-12-8/h2-8H,1H3;2-7H,1H3;3-6H,1-2H3;2-6H,1H3;2-4H,5H2,1H3
InChIKeySMQLBCRXYLVQCR-UHFFFAOYSA-N
XLogP16.94
TPSA123.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.00
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole?
The IUPAC name of 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole (CID 160877928) is 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole.
What is the SMILES notation for 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole?
The canonical SMILES for 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole is Cc1cc2c(ccc3occ(C)c32)o1.Cc1coc2ccc3c(c12)OCO3.Cc1coc2ccc3ccccc3c12.Cc1coc2ccc3ncccc3c12.Cc1coc2ccc3occc3c12.
What is the InChIKey of 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole?
The InChIKey is SMQLBCRXYLVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H9NO.C12H10O2.C11H8O2.C10H8O3/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12;1-8-7-14-11-5-4-10-9(12(8)11)3-2-6-13-10;1-7-6-13-11-4-3-10-9(12(7)11)5-8(2)14-10;1-7-6-13-10-3-2-9-8(11(7)10)4-5-12-9;1-6-4-11-7-2-3-8-10(9(6)7)13-5-12-8/h2-8H,1H3;2-7H,1H3;3-6H,1-2H3;2-6H,1H3;2-4H,5H2,1H3.
What are the key properties of 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole?
2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole has a molecular weight of 900.00 g/mol, XLogP of 16.94, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole is sourced from PubChem (CID 160877928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).