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

C46H35NO7 — CID 158349192

IUPAC1-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
SMILESCc1coc2ccc3c(c12)OCO3.Cc1coc2ccc3ccccc3c12.Cc1coc2ccc3ncccc3c12.Cc1coc2ccc3occc3c12
InChIInChI=1S/C13H10O.C12H9NO.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;1-7-6-13-10-3-2-9-8(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;2-6H,1H3;2-4H,5H2,1H3
InChIKeyGSCLQNCHWNUXPZ-UHFFFAOYSA-N
MW713.79 g/mol
LogP13.14
Rot. Bonds

About 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

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 158349192) has the molecular formula C46H35NO7 and a molecular weight of 713.79 g/mol. Its IUPAC name is 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 Name1-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 CID158349192
Molecular FormulaC46H35NO7
Molecular Weight713.79 g/mol
Exact Mass713.24
IUPAC Name1-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
SMILESCc1coc2ccc3c(c12)OCO3.Cc1coc2ccc3ccccc3c12.Cc1coc2ccc3ncccc3c12.Cc1coc2ccc3occc3c12
InChIInChI=1S/C13H10O.C12H9NO.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;1-7-6-13-10-3-2-9-8(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;2-6H,1H3;2-4H,5H2,1H3
InChIKeyGSCLQNCHWNUXPZ-UHFFFAOYSA-N
XLogP13.14
TPSA97.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.79
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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 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 158349192) is 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 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 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 Cc1coc2ccc3c(c12)OCO3.Cc1coc2ccc3ccccc3c12.Cc1coc2ccc3ncccc3c12.Cc1coc2ccc3occc3c12.
What is the InChIKey of 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 GSCLQNCHWNUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H9NO.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;1-7-6-13-10-3-2-9-8(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;2-6H,1H3;2-4H,5H2,1H3.
What are the key properties of 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?
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 713.79 g/mol, XLogP of 13.14, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158349192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).